3-[ethyl-(3-methoxy-4-methylbenzoyl)amino]propanoic acid

C14H19NO4 — CID 54898498

IUPAC3-[ethyl-(3-methoxy-4-methylbenzoyl)amino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)c1ccc(C)c(OC)c1
InChIInChI=1S/C14H19NO4/c1-4-15(8-7-13(16)17)14(18)11-6-5-10(2)12(9-11)19-3/h5-6,9H,4,7-8H2,1-3H3,(H,16,17)
InChIKeyJCNGDVBUFDYYOY-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.94
Rot. Bonds6

About 3-[ethyl-(3-methoxy-4-methylbenzoyl)amino]propanoic acid

3-[ethyl-(3-methoxy-4-methylbenzoyl)amino]propanoic acid (PubChem CID 54898498) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 3-[ethyl-(3-methoxy-4-methylbenzoyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[ethyl-(3-methoxy-4-methylbenzoyl)amino]propanoic acid
PubChem CID54898498
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name3-[ethyl-(3-methoxy-4-methylbenzoyl)amino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)c1ccc(C)c(OC)c1
InChIInChI=1S/C14H19NO4/c1-4-15(8-7-13(16)17)14(18)11-6-5-10(2)12(9-11)19-3/h5-6,9H,4,7-8H2,1-3H3,(H,16,17)
InChIKeyJCNGDVBUFDYYOY-UHFFFAOYSA-N
XLogP1.94
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[ethyl-(3-methoxy-4-methylbenzoyl)amino]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[ethyl-(3-methoxy-4-methylbenzoyl)amino]acetic acid
CID 54900774
N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-3-methoxy-4-methylbenzamide
CID 76910609
3-[ethyl-(3-fluoro-4-methoxybenzoyl)amino]propanoic acid
CID 54898966
methyl 3-[(3,4-dimethylbenzoyl)-ethylamino]propanoate
CID 54898933
3-[ethyl-[2-(3-methoxy-4-methylphenyl)acetyl]amino]propanoic acid
CID 61008101
3-[(3-methoxy-4-methylbenzoyl)-propan-2-ylamino]propanoic acid
CID 60831904
3-[(4-cyclopentyloxy-3-methoxybenzoyl)-ethylamino]propanoic acid
CID 119191501
3-[[4-[(4-chlorophenyl)methoxy]-3-methoxybenzoyl]-ethylamino]propanoic acid
CID 119191439
3-[[4-(diethylcarbamoyl)benzoyl]-ethylamino]propanoic acid
CID 120685979
2-[(3-methoxy-4-methylbenzoyl)-(2-methylpropyl)amino]acetic acid
CID 62033906
N-ethyl-3-methoxy-N-[2-(2-methoxyanilino)-2-oxoethyl]-4-methylbenzamide
CID 46563290
N,N-diethyl-4-methoxy-3-methylbenzamide
CID 10353462

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-(3-methoxy-4-methylbenzoyl)amino]propanoic acid?
The IUPAC name of 3-[ethyl-(3-methoxy-4-methylbenzoyl)amino]propanoic acid (CID 54898498) is 3-[ethyl-(3-methoxy-4-methylbenzoyl)amino]propanoic acid.
What is the SMILES notation for 3-[ethyl-(3-methoxy-4-methylbenzoyl)amino]propanoic acid?
The canonical SMILES for 3-[ethyl-(3-methoxy-4-methylbenzoyl)amino]propanoic acid is CCN(CCC(=O)O)C(=O)c1ccc(C)c(OC)c1.
What is the InChIKey of 3-[ethyl-(3-methoxy-4-methylbenzoyl)amino]propanoic acid?
The InChIKey is JCNGDVBUFDYYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-4-15(8-7-13(16)17)14(18)11-6-5-10(2)12(9-11)19-3/h5-6,9H,4,7-8H2,1-3H3,(H,16,17).
What are the key properties of 3-[ethyl-(3-methoxy-4-methylbenzoyl)amino]propanoic acid?
3-[ethyl-(3-methoxy-4-methylbenzoyl)amino]propanoic acid has a molecular weight of 265.31 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-(3-methoxy-4-methylbenzoyl)amino]propanoic acid is sourced from PubChem (CID 54898498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).