3-(4-carbamoylphenyl)propanoic acid

C10H11NO3 — CID 28810187

IUPAC3-(4-carbamoylphenyl)propanoic acid
SMILESNC(=O)c1ccc(CCC(=O)O)cc1
InChIInChI=1S/C10H11NO3/c11-10(14)8-4-1-7(2-5-8)3-6-9(12)13/h1-2,4-5H,3,6H2,(H2,11,14)(H,12,13)
InChIKeyAMGMGROSBGZBCX-UHFFFAOYSA-N
MW193.20 g/mol
LogP0.80
Rot. Bonds4

About 3-(4-carbamoylphenyl)propanoic acid

3-(4-carbamoylphenyl)propanoic acid (PubChem CID 28810187) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is 3-(4-carbamoylphenyl)propanoic acid.

Molecular Properties

Compound Name3-(4-carbamoylphenyl)propanoic acid
PubChem CID28810187
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name3-(4-carbamoylphenyl)propanoic acid
SMILESNC(=O)c1ccc(CCC(=O)O)cc1
InChIInChI=1S/C10H11NO3/c11-10(14)8-4-1-7(2-5-8)3-6-9(12)13/h1-2,4-5H,3,6H2,(H2,11,14)(H,12,13)
InChIKeyAMGMGROSBGZBCX-UHFFFAOYSA-N
XLogP0.80
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-carbamoylphenyl)propanoic acid?
The IUPAC name of 3-(4-carbamoylphenyl)propanoic acid (CID 28810187) is 3-(4-carbamoylphenyl)propanoic acid.
What is the SMILES notation for 3-(4-carbamoylphenyl)propanoic acid?
The canonical SMILES for 3-(4-carbamoylphenyl)propanoic acid is NC(=O)c1ccc(CCC(=O)O)cc1.
What is the InChIKey of 3-(4-carbamoylphenyl)propanoic acid?
The InChIKey is AMGMGROSBGZBCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c11-10(14)8-4-1-7(2-5-8)3-6-9(12)13/h1-2,4-5H,3,6H2,(H2,11,14)(H,12,13).
What are the key properties of 3-(4-carbamoylphenyl)propanoic acid?
3-(4-carbamoylphenyl)propanoic acid has a molecular weight of 193.20 g/mol, XLogP of 0.80, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-carbamoylphenyl)propanoic acid is sourced from PubChem (CID 28810187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).