(E)-N-Boc-4-amino-2-butenoic Acid - CAS 180913-22-8

Name: (E)-N-Boc-4-amino-2-butenoic Acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB013772
Product Name:	(E)-N-Boc-4-amino-2-butenoic Acid
CAS:	180913-22-8
Synonyms:	(E)-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-butenoic acid; (E)-4-[(2-methylpropan-2-yl)oxycarbonylamino]but-2-enoic acid

Technical Data

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Patents

Computed Properties

IUPAC Name:	(E)-4-[(2-methylpropan-2-yl)oxycarbonylamino]but-2-enoic acid
Description:	(E)-N-Boc-4-amino-2-butenoic Acid (CAS# 180913-22-8) is a useful research chemical.
Molecular Weight:	201.22
Molecular Formula:	C9H15NO4
Canonical SMILES:	CC(C)(C)OC(=O)NCC=CC(=O)O
InChI:	InChI=1S/C9H15NO4/c1-9(2,3)14-8(13)10-6-4-5-7(11)12/h4-5H,6H2,1-3H3,(H,10,13)(H,11,12)/b5-4+
InChI Key:	MUQOCUSTNGBFJL-SNAWJCMRSA-N
LogP:	1.54280

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]C15H22O5S.Na
Sulfophenyl nonanoate sodium salt
[51493-02-8]C5H10ClNO
N-Methyl-N-propylcarbamoyl Chloride
[17746-05-3]C11H21ClO
Undecanoyl chloride
[35153-16-3]C16H30O2
(Z)-10-Tetradecenyl Acetate
[55441-25-3]C8H7N3O
1-(2-Cyanophenyl)urea
[1035840-45-9]C14H16N2O4
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Publication Number	Title	Priority Date
WO-2021067215-A1	Piperidine compounds as menin inhibitors	20190930
US-2019375749-A1	Kras g12c inhibitors and methods of using the same	20180611
WO-2019241157-A1	Kras g12c inhibitors for treating cancer	20180611
AU-2019284472-A1	KRAS G12C inhibitors for treating cancer	20180611
EP-3802537-A1	Kras g12c inhibitors for treating cancer	20180611

Complexity:	240
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Exact Mass:	201.10010796
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	201.10010796
Rotatable Bond Count:	5
Topological Polar Surface Area:	75.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.7