3-(4-benzamidophenyl)propanoic acid

C16H15NO3 — CID 17341529

IUPAC3-(4-benzamidophenyl)propanoic acid
SMILESO=C(O)CCc1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C16H15NO3/c18-15(19)11-8-12-6-9-14(10-7-12)17-16(20)13-4-2-1-3-5-13/h1-7,9-10H,8,11H2,(H,17,20)(H,18,19)
InChIKeyYJZMWAPBBIMKSU-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.96
Rot. Bonds5

About 3-(4-benzamidophenyl)propanoic acid

3-(4-benzamidophenyl)propanoic acid (PubChem CID 17341529) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is 3-(4-benzamidophenyl)propanoic acid.

Molecular Properties

Compound Name3-(4-benzamidophenyl)propanoic acid
PubChem CID17341529
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Name3-(4-benzamidophenyl)propanoic acid
SMILESO=C(O)CCc1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C16H15NO3/c18-15(19)11-8-12-6-9-14(10-7-12)17-16(20)13-4-2-1-3-5-13/h1-7,9-10H,8,11H2,(H,17,20)(H,18,19)
InChIKeyYJZMWAPBBIMKSU-UHFFFAOYSA-N
XLogP2.96
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-benzamidophenyl)propanoic acid?
The IUPAC name of 3-(4-benzamidophenyl)propanoic acid (CID 17341529) is 3-(4-benzamidophenyl)propanoic acid.
What is the SMILES notation for 3-(4-benzamidophenyl)propanoic acid?
The canonical SMILES for 3-(4-benzamidophenyl)propanoic acid is O=C(O)CCc1ccc(NC(=O)c2ccccc2)cc1.
What is the InChIKey of 3-(4-benzamidophenyl)propanoic acid?
The InChIKey is YJZMWAPBBIMKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c18-15(19)11-8-12-6-9-14(10-7-12)17-16(20)13-4-2-1-3-5-13/h1-7,9-10H,8,11H2,(H,17,20)(H,18,19).
What are the key properties of 3-(4-benzamidophenyl)propanoic acid?
3-(4-benzamidophenyl)propanoic acid has a molecular weight of 269.30 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-benzamidophenyl)propanoic acid is sourced from PubChem (CID 17341529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).