3-[(1-ethylpyrrole-2-carbonyl)amino]propanoic acid

C10H14N2O3 — CID 10679951

IUPAC3-[(1-ethylpyrrole-2-carbonyl)amino]propanoic acid
SMILESCCn1cccc1C(=O)NCCC(=O)O
InChIInChI=1S/C10H14N2O3/c1-2-12-7-3-4-8(12)10(15)11-6-5-9(13)14/h3-4,7H,2,5-6H2,1H3,(H,11,15)(H,13,14)
InChIKeyHYHCLWVPDKXHIW-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.71
Rot. Bonds5

About 3-[(1-ethylpyrrole-2-carbonyl)amino]propanoic acid

3-[(1-ethylpyrrole-2-carbonyl)amino]propanoic acid (PubChem CID 10679951) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 3-[(1-ethylpyrrole-2-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[(1-ethylpyrrole-2-carbonyl)amino]propanoic acid
PubChem CID10679951
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name3-[(1-ethylpyrrole-2-carbonyl)amino]propanoic acid
SMILESCCn1cccc1C(=O)NCCC(=O)O
InChIInChI=1S/C10H14N2O3/c1-2-12-7-3-4-8(12)10(15)11-6-5-9(13)14/h3-4,7H,2,5-6H2,1H3,(H,11,15)(H,13,14)
InChIKeyHYHCLWVPDKXHIW-UHFFFAOYSA-N
XLogP0.71
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[(1-ethylpyrrole-2-carbonyl)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

Frequently Asked Questions

What is the IUPAC name of 3-[(1-ethylpyrrole-2-carbonyl)amino]propanoic acid?
The IUPAC name of 3-[(1-ethylpyrrole-2-carbonyl)amino]propanoic acid (CID 10679951) is 3-[(1-ethylpyrrole-2-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[(1-ethylpyrrole-2-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-[(1-ethylpyrrole-2-carbonyl)amino]propanoic acid is CCn1cccc1C(=O)NCCC(=O)O.
What is the InChIKey of 3-[(1-ethylpyrrole-2-carbonyl)amino]propanoic acid?
The InChIKey is HYHCLWVPDKXHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-2-12-7-3-4-8(12)10(15)11-6-5-9(13)14/h3-4,7H,2,5-6H2,1H3,(H,11,15)(H,13,14).
What are the key properties of 3-[(1-ethylpyrrole-2-carbonyl)amino]propanoic acid?
3-[(1-ethylpyrrole-2-carbonyl)amino]propanoic acid has a molecular weight of 210.23 g/mol, XLogP of 0.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-ethylpyrrole-2-carbonyl)amino]propanoic acid is sourced from PubChem (CID 10679951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).