Name: Name:(S)-3-Methyl-2-((phenoxycarbonyl)amino)butanoic acid
Brand: Angene
SKU: AG000RSB
Rating: 90 (10 reviews)

(S)-3-Methyl-2-((phenoxycarbonyl)amino)butanoic acid

CAS No.:

126147-70-4

Catalog Number:

AG000RSB

Molecular Formula:

C12H15NO4

Molecular Weight:

237.2518

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Product Description

Catalog Number:

AG000RSB

Chemical Name:

(S)-3-Methyl-2-((phenoxycarbonyl)amino)butanoic acid

CAS Number:

126147-70-4

Molecular Formula:

C12H15NO4

Molecular Weight:

237.2518

MDL Number:

MFCD03840384

IUPAC Name:

(2S)-3-methyl-2-(phenoxycarbonylamino)butanoic acid

InChI:

InChI=1S/C12H15NO4/c1-8(2)10(11(14)15)13-12(16)17-9-6-4-3-5-7-9/h3-8,10H,1-2H3,(H,13,16)(H,14,15)/t10-/m0/s1

InChI Key:

HVJMEAOTIUMIBJ-JTQLQIEISA-N

SMILES:

CC([C@@H](C(=O)O)NC(=O)Oc1ccccc1)C

Properties

Complexity:

272

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

237.1g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

237.255g/mol

Monoisotopic Mass:

237.1g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

75.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.5

Literature

Title	Journal
(4S)-Benzyl 4-isopropyl-5-oxo-1,3-oxazolidine-3-carboxyl-ate.	Acta crystallographica. Section E, Structure reports online 20080401