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methyl (2S)-2-(phenylformamido)propanoate

methyl (2S)-2-(phenylformamido)propanoate

CAS: 7244-67-9

Formula: C11H13NO3

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

IUPAC: methyl (2S)-2-(phenylformamido)propanoate

InChI: InChI=1S/C11H13NO3/c1-8(11(14)15-2)12-10(13)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,12,13)/t8-/m0/s1

Composition: C (63.76%), H (6.32%), N (6.76%), O (23.16%)

Molar Mass: 207.229

Atom Count: 28

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 207.089543283
Formal Charge 0
FSP3 0.27
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey QRDFLIILGVFYCF-QMMMGPOBSA-N
Lipinski's Rule of Five 1
Molar Refractivity 55.38
Topological Polar Surface Area 55.4
Polarizability 21.31
Ring Count 1
Rotatable Bond Count 4

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