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5-(phenylformamido)pentanoic acid

5-(phenylformamido)pentanoic acid

CAS: 15647-47-9

Formula: C12H15NO3

SMILES: OC(=O)CCCCNC(=O)C1=CC=CC=C1

IUPAC: 5-(phenylformamido)pentanoic acid

InChI: InChI=1S/C12H15NO3/c14-11(15)8-4-5-9-13-12(16)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,13,16)(H,14,15)

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 0
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 LAPZULVOGQPDBE-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 60.17
Topological Polar Surface Area 66.4
Polarizability 22.9
Ring Count 1
Rotatable Bond Count 6

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