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3-{[(1S)-1-phenylethyl]carbamoyl}propanoic acid

3-{[(1S)-1-phenylethyl]carbamoyl}propanoic acid

CAS: 21752-34-1

Formula: C12H15NO3

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

IUPAC: 3-{[(1S)-1-phenylethyl]carbamoyl}propanoic acid

InChI: InChI=1S/C12H15NO3/c1-9(10-5-3-2-4-6-10)13-11(14)7-8-12(15)16/h2-6,9H,7-8H2,1H3,(H,13,14)(H,15,16)/t9-/m0/s1

Composition: C (65.14%), H (6.83%), N (6.33%), O (21.69%)

Molar Mass: 221.256

Atom Count: 31

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 221.105193347
Formal Charge 0
FSP3 0.33
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey WUEKFTPKHWMMIP-VIFPVBQESA-N
Lipinski's Rule of Five 1
Molar Refractivity 59.29
Topological Polar Surface Area 66.4
Polarizability 23.11
Ring Count 1
Rotatable Bond Count 5

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