(2S)-3-methyl-2-[(phenoxycarbonyl)amino]butanoic acid

(2S)-3-methyl-2-[(phenoxycarbonyl)amino]butanoic acid

CAS: 126147-70-4

Formula: C12H15NO4

SMILES: CC(C)[C@H](NC(=O)OC1=CC=CC=C1)C(O)=O

IUPAC: (2S)-3-methyl-2-[(phenoxycarbonyl)amino]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

Composition: C (60.75%), H (6.37%), N (5.90%), O (26.97%)

Molar Mass: 237.255

Atom Count: 32

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	237.100107967
Formal Charge	0
FSP3	0.33
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	HVJMEAOTIUMIBJ-JTQLQIEISA-N
Lipinski's Rule of Five	1
Molar Refractivity	60.34
Topological Polar Surface Area	75.63
Polarizability	23.81
Ring Count	1
Rotatable Bond Count	5

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