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2-{[(1R)-1-phenylethyl]carbamoyl}benzoic acid

2-{[(1R)-1-phenylethyl]carbamoyl}benzoic acid

CAS: 21752-35-2

Formula: C16H15NO3

SMILES: C[C@@H](NC(=O)C1=CC=CC=C1C(O)=O)C1=CC=CC=C1

IUPAC: 2-{[(1R)-1-phenylethyl]carbamoyl}benzoic acid

InChI: InChI=1S/C16H15NO3/c1-11(12-7-3-2-4-8-12)17-15(18)13-9-5-6-10-14(13)16(19)20/h2-11H,1H3,(H,17,18)(H,19,20)/t11-/m1/s1

Composition: C (71.36%), H (5.61%), N (5.20%), O (17.82%)

Molar Mass: 269.3

Atom Count: 35

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 269.105193347
Formal Charge 0
FSP3 0.12
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey VCFKXWGKKDZMPO-LLVKDONJSA-N
Lipinski's Rule of Five 1
Molar Refractivity 76.32
Topological Polar Surface Area 66.4
Polarizability 28.76
Ring Count 2
Rotatable Bond Count 4

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