(S)-2-(Boc-amino)-3-buten-1-ol - CAS 91103-37-6

Catalog:	BB040046
Product Name:	(S)-2-(Boc-amino)-3-buten-1-ol
CAS:	91103-37-6
Synonyms:	N-[(2S)-1-hydroxybut-3-en-2-yl]carbamic acid tert-butyl ester; tert-butyl N-[(2S)-1-hydroxybut-3-en-2-yl]carbamate

Technical Data

Patents

Computed Properties

IUPAC Name:	tert-butyl N-[(2S)-1-hydroxybut-3-en-2-yl]carbamate
Description:	(S)-2-(Boc-amino)-3-buten-1-ol (CAS# 91103-37-6 ) is a useful research chemical.
Molecular Weight:	187.24
Molecular Formula:	C9H17NO3
Canonical SMILES:	CC(C)(C)OC(=O)NC(CO)C=C
InChI:	InChI=1S/C9H17NO3/c1-5-7(6-11)10-8(12)13-9(2,3)4/h5,7,11H,1,6H2,2-4H3,(H,10,12)/t7-/m0/s1
InChI Key:	HYVYNSIWYIWTCK-ZETCQYMHSA-N
LogP:	1.26240

Publication Number	Title	Priority Date
CA-3044889-A1	Pyrimido[5,4-b]indolizine or pyrimido[5,4-b]pyrrolizine compound, preparation method and use thereof	20161124
EP-3546460-A1	Pyrimido[5,4-b]indolizine or pyrimido[5,4-b]pyrrolizine compound, preparation method and use thereof	20161124
US-2019292183-A1	Pyrimido[5,4-b]indolizine or pyrimido[5,4-b]pyrrolizine compound, preparation method and use thereof	20161124
WO-2018095398-A1	Pyrimido[5,4-b]indolizine or pyrimido[5,4-b]pyrrolizine compound, preparation method and use thereof	20161124
EP-3546460-B1	Pyrimido[5,4-b]indolizine or pyrimido[5,4-b]pyrrolizine compound, preparation method and use thereof	20161124

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Complexity:	184
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	187.1208434
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	187.1208434
Rotatable Bond Count:	5
Topological Polar Surface Area:	58.6
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.9