(S)-N-Boc-3-butyne-2-amine - CAS 118080-79-8

Catalog:	BB004049
Product Name:	(S)-N-Boc-3-butyne-2-amine
CAS:	118080-79-8
Synonyms:	N-[(2S)-but-3-yn-2-yl]carbamic acid tert-butyl ester; tert-butyl N-[(2S)-but-3-yn-2-yl]carbamate

Technical Data

Patents

Computed Properties

IUPAC Name:	tert-butyl N-[(2S)-but-3-yn-2-yl]carbamate
Description:	The S-enantiomer of N-Boc-3-amino-1-butyne.
Molecular Weight:	169.22
Molecular Formula:	C9H15NO2
Canonical SMILES:	CC(C#C)NC(=O)OC(C)(C)C
InChI:	InChI=1S/C9H15NO2/c1-6-7(2)10-8(11)12-9(3,4)5/h1,7H,2-5H3,(H,10,11)/t7-/m0/s1
InChI Key:	AMWSEGBTTPQUKW-ZETCQYMHSA-N
Storage:	Sealed in dry, 2-8 °C
LogP:	1.73720

Publication Number	Title	Priority Date
WO-2021206955-A1	Macrocyclic compounds as kinases inhibitors and uses thereof	20200406
WO-2020206034-A1	Cell cycle inhibiting compounds for the treatment of medical disorders	20190401
JP-WO2018159628-A1	Amino acid type acylborane and method for producing the same	20170228
WO-2018159628-A1	Amino acid type acylborane and method for producing same	20170228
AU-2014229283-A1	3-pyrimidin-4-yl-oxazolidin-2-ones as inhibitors of mutant IDH	20130314

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Related Functional Groups

Nitrogen 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
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[32894-07-8]
Benzyl thioacetimidate hydrochloride
[13021-14-2]
2,4,6-Trimethyl-N-methylaniline
[2006278-12-0]
2-[(5-Bromo-3-pyridyl)oxy]-2-phenylacetonitrile
[916792-07-9]
2-Bromo-4-fluoro-5-methylbenzonitrile

Complexity:	206
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	169.110278721
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	169.110278721
Rotatable Bond Count:	3
Topological Polar Surface Area:	38.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4