2-(3-ethoxycarbonylanilino)propanoic acid

C12H15NO4 — CID 66172089

IUPAC2-(3-ethoxycarbonylanilino)propanoic acid
SMILESCCOC(=O)c1cccc(NC(C)C(=O)O)c1
InChIInChI=1S/C12H15NO4/c1-3-17-12(16)9-5-4-6-10(7-9)13-8(2)11(14)15/h4-8,13H,3H2,1-2H3,(H,14,15)
InChIKeyQFRNNLJLPBFZFB-UHFFFAOYSA-N
MW237.25 g/mol
LogP1.75
Rot. Bonds5

About 2-(3-ethoxycarbonylanilino)propanoic acid

2-(3-ethoxycarbonylanilino)propanoic acid (PubChem CID 66172089) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is 2-(3-ethoxycarbonylanilino)propanoic acid.

Molecular Properties

Compound Name2-(3-ethoxycarbonylanilino)propanoic acid
PubChem CID66172089
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name2-(3-ethoxycarbonylanilino)propanoic acid
SMILESCCOC(=O)c1cccc(NC(C)C(=O)O)c1
InChIInChI=1S/C12H15NO4/c1-3-17-12(16)9-5-4-6-10(7-9)13-8(2)11(14)15/h4-8,13H,3H2,1-2H3,(H,14,15)
InChIKeyQFRNNLJLPBFZFB-UHFFFAOYSA-N
XLogP1.75
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(3-ethoxycarbonylanilino)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

ethyl 3-(benzhydrylamino)benzoate
CID 172748353
(2S)-2-(3-acetylanilino)propanoic acid
CID 121364926
ethyl 3-(2-methylpropanoylamino)benzoate
CID 836905
ethyl 3-[1-(4-fluorophenyl)ethylamino]benzoate
CID 43217241
ethyl 3-[1-(4-bromophenyl)ethylamino]benzoate
CID 43321951
ethyl 3-[1-(3-bromophenyl)ethylamino]benzoate
CID 43321950
ethyl 3-acetamidobenzoate
CID 700589
2-[3-(diethylcarbamoyl)anilino]propanoic acid
CID 66174088
ethyl 3-[[(2S)-2-chloropropanoyl]amino]benzoate
CID 92660255
2-(3-benzoylanilino)propanoic acid;hydrate
CID 23341865
diethyl benzene-1,3-dicarboxylate
CID 12491
ethyl 3-(2-phenylpropanoylamino)benzoate
CID 54084497

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxycarbonylanilino)propanoic acid?
The IUPAC name of 2-(3-ethoxycarbonylanilino)propanoic acid (CID 66172089) is 2-(3-ethoxycarbonylanilino)propanoic acid.
What is the SMILES notation for 2-(3-ethoxycarbonylanilino)propanoic acid?
The canonical SMILES for 2-(3-ethoxycarbonylanilino)propanoic acid is CCOC(=O)c1cccc(NC(C)C(=O)O)c1.
What is the InChIKey of 2-(3-ethoxycarbonylanilino)propanoic acid?
The InChIKey is QFRNNLJLPBFZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-3-17-12(16)9-5-4-6-10(7-9)13-8(2)11(14)15/h4-8,13H,3H2,1-2H3,(H,14,15).
What are the key properties of 2-(3-ethoxycarbonylanilino)propanoic acid?
2-(3-ethoxycarbonylanilino)propanoic acid has a molecular weight of 237.25 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxycarbonylanilino)propanoic acid is sourced from PubChem (CID 66172089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).