(R)-2-(Boc-amino)propanenitrile - CAS 100927-09-1

Catalog:	BB000388
Product Name:	(R)-2-(Boc-amino)propanenitrile
CAS:	100927-09-1
Synonyms:	N-[(1R)-1-cyanoethyl]carbamic acid tert-butyl ester; tert-butyl N-[(1R)-1-cyanoethyl]carbamate

Technical Data

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Computed Properties

IUPAC Name:	tert-butyl N-[(1R)-1-cyanoethyl]carbamate
Description:	(R)-2-(Boc-amino)propanenitrile (CAS# 100927-09-1 ) is a useful research chemical.
Molecular Weight:	170.21
Molecular Formula:	C8H14N2O2
Canonical SMILES:	CC(C#N)NC(=O)OC(C)(C)C
InChI:	InChI=1S/C8H14N2O2/c1-6(5-9)10-7(11)12-8(2,3)4/h6H,1-4H3,(H,10,11)/t6-/m1/s1
InChI Key:	RPKPFOKNXKRFTD-ZCFIWIBFSA-N
LogP:	1.81408

Publication Number	Title	Priority Date
AU-2016357927-A1	Macrocyclic broad spectrum antibiotics	20151120
CA-3005674-A1	Macrocyclic broad spectrum antibiotics	20151120
TW-201726632-A	Giant ring broad-acting antibiotic	20151120
US-2018327367-A1	Macrocyclic broad spectrum antibiotics	20151120
EP-2560969-A1	4 - (5 - isoxazolyl or 5 - pyrrazolyl -1,2,4- oxadiazol - 3 - yl) -mandelic acid amides as sphingosin- 1 - phosphate 1 rreceptor agonists	20100423

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Related Functional Groups

Nitrogen Compounds

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1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]
1-(Chloromethyl)-3-nitro-1H-pyrazole
[62838-59-9]
1-Cyclopentyl-1H-pyrazole
[1281984-38-0]
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[618-40-6]
1-Methyl-1-phenylhydrazine

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Complexity:	209
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	170.105527694
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	170.105527694
Rotatable Bond Count:	3
Topological Polar Surface Area:	62.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1