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(2S)-2-amino-3-(3-carbamoylphenyl)propanoic acid

(2S)-2-amino-3-(3-carbamoylphenyl)propanoic acid

CAS: 1217651-22-3

Formula: C10H12N2O3

SMILES: N[C@@H](CC1=CC=CC(=C1)C(N)=O)C(O)=O

IUPAC: (2S)-2-amino-3-(3-carbamoylphenyl)propanoic acid

InChI: InChI=1S/C10H12N2O3/c11-8(10(14)15)5-6-2-1-3-7(4-6)9(12)13/h1-4,8H,5,11H2,(H2,12,13)(H,14,15)/t8-/m0/s1

Composition: C (57.69%), H (5.81%), N (13.45%), O (23.05%)

Molar Mass: 208.217

Atom Count: 27

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 208.084792254
Formal Charge 0
FSP3 0.2
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 3
InChIKey NUHHYFSZGZXEGU-QMMMGPOBSA-N
Lipinski's Rule of Five 1
Molar Refractivity 54.19
Topological Polar Surface Area 106.41
Polarizability 20.76
Ring Count 1
Rotatable Bond Count 4

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