3-[[2-(4-methylphenyl)acetyl]amino]propanoic acid

C12H15NO3 — CID 919508

IUPAC3-[[2-(4-methylphenyl)acetyl]amino]propanoic acid
SMILESCc1ccc(CC(=O)NCCC(=O)O)cc1
InChIInChI=1S/C12H15NO3/c1-9-2-4-10(5-3-9)8-11(14)13-7-6-12(15)16/h2-5H,6-8H2,1H3,(H,13,14)(H,15,16)
InChIKeyUDBCCNYHZQCAGO-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.13
Rot. Bonds5

About 3-[[2-(4-methylphenyl)acetyl]amino]propanoic acid

3-[[2-(4-methylphenyl)acetyl]amino]propanoic acid (PubChem CID 919508) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 3-[[2-(4-methylphenyl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[2-(4-methylphenyl)acetyl]amino]propanoic acid
PubChem CID919508
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name3-[[2-(4-methylphenyl)acetyl]amino]propanoic acid
SMILESCc1ccc(CC(=O)NCCC(=O)O)cc1
InChIInChI=1S/C12H15NO3/c1-9-2-4-10(5-3-9)8-11(14)13-7-6-12(15)16/h2-5H,6-8H2,1H3,(H,13,14)(H,15,16)
InChIKeyUDBCCNYHZQCAGO-UHFFFAOYSA-N
XLogP1.13
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-methylphenyl)acetyl]amino]propanoic acid?
The IUPAC name of 3-[[2-(4-methylphenyl)acetyl]amino]propanoic acid (CID 919508) is 3-[[2-(4-methylphenyl)acetyl]amino]propanoic acid.
What is the SMILES notation for 3-[[2-(4-methylphenyl)acetyl]amino]propanoic acid?
The canonical SMILES for 3-[[2-(4-methylphenyl)acetyl]amino]propanoic acid is Cc1ccc(CC(=O)NCCC(=O)O)cc1.
What is the InChIKey of 3-[[2-(4-methylphenyl)acetyl]amino]propanoic acid?
The InChIKey is UDBCCNYHZQCAGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-9-2-4-10(5-3-9)8-11(14)13-7-6-12(15)16/h2-5H,6-8H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 3-[[2-(4-methylphenyl)acetyl]amino]propanoic acid?
3-[[2-(4-methylphenyl)acetyl]amino]propanoic acid has a molecular weight of 221.26 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-methylphenyl)acetyl]amino]propanoic acid is sourced from PubChem (CID 919508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).