N-Boc-4-oxo-DL-proline - CAS 876317-19-0

Name: N-Boc-4-oxo-DL-proline
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB038560
Product Name:	N-Boc-4-oxo-DL-proline
CAS:	876317-19-0
Synonyms:	1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-oxo-2-pyrrolidinecarboxylic acid; 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-oxopyrrolidine-2-carboxylic acid

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Computed Properties

IUPAC Name:	1-[(2-methylpropan-2-yl)oxycarbonyl]-4-oxopyrrolidine-2-carboxylic acid
Description:	N-Boc-4-oxo-DL-proline (CAS# 876317-19-0) is a useful research chemical compound.
Molecular Weight:	229.23
Molecular Formula:	C10H15NO5
Canonical SMILES:	CC(C)(C)OC(=O)N1CC(=O)CC1C(=O)O
InChI:	InChI=1S/C10H15NO5/c1-10(2,3)16-9(15)11-5-6(12)4-7(11)8(13)14/h7H,4-5H2,1-3H3,(H,13,14)
InChI Key:	CKYGSXRXTIKGAJ-UHFFFAOYSA-N
Boiling Point:	390.756 °C at 760 mmHg
Density:	1.305 g/cm³
LogP:	0.58740

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]C23H22N2O5
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[87-88-7]C6H2Cl2O4
Chloranilic acid
[1383427-98-2]C7H13ClN2O2
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[17746-05-3]C11H21ClO
Undecanoyl chloride
[91552-11-3]C10H9ClO2
2-(3-Chlorophenyl)cyclopropanecarboxylic Acid
[1016519-61-1]C8H10N2O2
2-(Methyl-2-pyridylamino)acetic Acid

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
WO-2019201432-A1	Inhibitors of blood coagulation factor xiii	20180417
WO-2019202052-A1	Inhibitors of blood coagulation factor xiii	20180417
EP-3781212-A1	Inhibitors of blood coagulation factor xiii	20180417
US-2021147478-A1	Inhibitors of blood coagulation factor xiii	20180417
US-10072017-B2	Compounds and methods for the treatment of cystic fibrosis	20151230

Complexity:	331
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	229.09502258
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	229.09502258
Rotatable Bond Count:	3
Topological Polar Surface Area:	83.9 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	0.3