3-[(4-ethylbenzoyl)amino]-2-methoxypropanoic acid

C13H17NO4 — CID 114144332

IUPAC3-[(4-ethylbenzoyl)amino]-2-methoxypropanoic acid
SMILESCCc1ccc(C(=O)NCC(OC)C(=O)O)cc1
InChIInChI=1S/C13H17NO4/c1-3-9-4-6-10(7-5-9)12(15)14-8-11(18-2)13(16)17/h4-7,11H,3,8H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyZCARZYKTIKEUTP-UHFFFAOYSA-N
MW251.28 g/mol
LogP1.08
Rot. Bonds6

About 3-[(4-ethylbenzoyl)amino]-2-methoxypropanoic acid

3-[(4-ethylbenzoyl)amino]-2-methoxypropanoic acid (PubChem CID 114144332) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is 3-[(4-ethylbenzoyl)amino]-2-methoxypropanoic acid.

Molecular Properties

Compound Name3-[(4-ethylbenzoyl)amino]-2-methoxypropanoic acid
PubChem CID114144332
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name3-[(4-ethylbenzoyl)amino]-2-methoxypropanoic acid
SMILESCCc1ccc(C(=O)NCC(OC)C(=O)O)cc1
InChIInChI=1S/C13H17NO4/c1-3-9-4-6-10(7-5-9)12(15)14-8-11(18-2)13(16)17/h4-7,11H,3,8H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyZCARZYKTIKEUTP-UHFFFAOYSA-N
XLogP1.08
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[(4-ethylbenzoyl)amino]-2-methoxypropanoic 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-methoxy-3-[(4-prop-2-enoxybenzoyl)amino]propanoic acid
CID 106107483
2-methoxy-3-[[2-[(4-methylbenzoyl)amino]acetyl]amino]propanoic acid
CID 106108102
4-ethyl-N-(2-hydroperoxypropyl)benzamide
CID 163559021
N-(2-bromo-3-methoxypropyl)-4-ethylbenzamide
CID 114309833
3-[(3-chloro-4-methylbenzoyl)amino]-2-methoxypropanoic acid
CID 114144324
3-[(3,5-difluorobenzoyl)amino]-2-methoxypropanoic acid
CID 106107464
3-[(4-fluoro-3-methoxybenzoyl)amino]-2-methoxypropanoic acid
CID 106108177
3-[(3-aminobenzoyl)amino]-2-methoxypropanoic acid
CID 106109026
3-(furan-2-carbonylamino)-2-methoxypropanoic acid
CID 106108034
4-ethyl-N-(2-methoxy-2-thiophen-3-ylethyl)benzamide
CID 90583852
N-(2-amino-3-ethylpentyl)-4-ethylbenzamide
CID 106286266
4-ethyl-N-(2-hydroxy-4-methylpentyl)benzamide
CID 113258694

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethylbenzoyl)amino]-2-methoxypropanoic acid?
The IUPAC name of 3-[(4-ethylbenzoyl)amino]-2-methoxypropanoic acid (CID 114144332) is 3-[(4-ethylbenzoyl)amino]-2-methoxypropanoic acid.
What is the SMILES notation for 3-[(4-ethylbenzoyl)amino]-2-methoxypropanoic acid?
The canonical SMILES for 3-[(4-ethylbenzoyl)amino]-2-methoxypropanoic acid is CCc1ccc(C(=O)NCC(OC)C(=O)O)cc1.
What is the InChIKey of 3-[(4-ethylbenzoyl)amino]-2-methoxypropanoic acid?
The InChIKey is ZCARZYKTIKEUTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c1-3-9-4-6-10(7-5-9)12(15)14-8-11(18-2)13(16)17/h4-7,11H,3,8H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 3-[(4-ethylbenzoyl)amino]-2-methoxypropanoic acid?
3-[(4-ethylbenzoyl)amino]-2-methoxypropanoic acid has a molecular weight of 251.28 g/mol, XLogP of 1.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethylbenzoyl)amino]-2-methoxypropanoic acid is sourced from PubChem (CID 114144332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).