2-(4-carbamoylphenyl)acetic acid

C9H9NO3 — CID 14180950

IUPAC2-(4-carbamoylphenyl)acetic acid
SMILESNC(=O)c1ccc(CC(=O)O)cc1
InChIInChI=1S/C9H9NO3/c10-9(13)7-3-1-6(2-4-7)5-8(11)12/h1-4H,5H2,(H2,10,13)(H,11,12)
InChIKeyZGWAEKSJTSFZSS-UHFFFAOYSA-N
MW179.17 g/mol
LogP0.41
Rot. Bonds3

About 2-(4-carbamoylphenyl)acetic acid

2-(4-carbamoylphenyl)acetic acid (PubChem CID 14180950) has the molecular formula C9H9NO3 and a molecular weight of 179.17 g/mol. Its IUPAC name is 2-(4-carbamoylphenyl)acetic acid.

Molecular Properties

Compound Name2-(4-carbamoylphenyl)acetic acid
PubChem CID14180950
Molecular FormulaC9H9NO3
Molecular Weight179.17 g/mol
Exact Mass179.06
IUPAC Name2-(4-carbamoylphenyl)acetic acid
SMILESNC(=O)c1ccc(CC(=O)O)cc1
InChIInChI=1S/C9H9NO3/c10-9(13)7-3-1-6(2-4-7)5-8(11)12/h1-4H,5H2,(H2,10,13)(H,11,12)
InChIKeyZGWAEKSJTSFZSS-UHFFFAOYSA-N
XLogP0.41
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.17
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-carbamoylphenyl)acetic acid?
The IUPAC name of 2-(4-carbamoylphenyl)acetic acid (CID 14180950) is 2-(4-carbamoylphenyl)acetic acid.
What is the SMILES notation for 2-(4-carbamoylphenyl)acetic acid?
The canonical SMILES for 2-(4-carbamoylphenyl)acetic acid is NC(=O)c1ccc(CC(=O)O)cc1.
What is the InChIKey of 2-(4-carbamoylphenyl)acetic acid?
The InChIKey is ZGWAEKSJTSFZSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO3/c10-9(13)7-3-1-6(2-4-7)5-8(11)12/h1-4H,5H2,(H2,10,13)(H,11,12).
What are the key properties of 2-(4-carbamoylphenyl)acetic acid?
2-(4-carbamoylphenyl)acetic acid has a molecular weight of 179.17 g/mol, XLogP of 0.41, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-carbamoylphenyl)acetic acid is sourced from PubChem (CID 14180950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).