4-(Cbz-amino)-2-butanone - CAS 95484-17-6

Catalog:	BB041732
Product Name:	4-(Cbz-amino)-2-butanone
CAS:	95484-17-6
Synonyms:	N-(3-oxobutyl)carbamic acid (phenylmethyl) ester; benzyl N-(3-oxobutyl)carbamate

Technical Data

Patents

Computed Properties

IUPAC Name:	benzyl N-(3-oxobutyl)carbamate
Description:	4-(Cbz-amino)-2-butanone (CAS# 95484-17-6 ) is a useful research chemical.
Molecular Weight:	221.25
Molecular Formula:	C12H15NO3
Canonical SMILES:	CC(=O)CCNC(=O)OCC1=CC=CC=C1
InChI:	InChI=1S/C12H15NO3/c1-10(14)7-8-13-12(15)16-9-11-5-3-2-4-6-11/h2-6H,7-9H2,1H3,(H,13,15)
InChI Key:	QVWVVHRNMKYYBJ-UHFFFAOYSA-N
LogP:	2.28280

Publication Number	Title	Priority Date
US-10377748-B2	Hepatitis B core protein modulators	20150915
US-2020131168-A1	Hepatitis b core protein modulators	20150915
WO-2017048950-A1	Hepatitis b core protein modulators	20150915
EP-3782626-A1	Hepatitis b core protein modulators	20150915
US-10968211-B2	Hepatitis B core protein modulators	20150915

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[17746-05-3]
Undecanoyl chloride
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester

Complexity:	234
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	221.10519334
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	221.10519334
Rotatable Bond Count:	6
Topological Polar Surface Area:	55.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1