5-(pyrrol-1-ylamino)pentanoic acid

C9H14N2O2 — CID 69474410

IUPAC5-(pyrrol-1-ylamino)pentanoic acid
SMILESO=C(O)CCCCNn1cccc1
InChIInChI=1S/C9H14N2O2/c12-9(13)5-1-2-6-10-11-7-3-4-8-11/h3-4,7-8,10H,1-2,5-6H2,(H,12,13)
InChIKeyRWEVEKNCLHNOES-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.29
Rot. Bonds6

About 5-(pyrrol-1-ylamino)pentanoic acid

5-(pyrrol-1-ylamino)pentanoic acid (PubChem CID 69474410) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 5-(pyrrol-1-ylamino)pentanoic acid.

Molecular Properties

Compound Name5-(pyrrol-1-ylamino)pentanoic acid
PubChem CID69474410
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name5-(pyrrol-1-ylamino)pentanoic acid
SMILESO=C(O)CCCCNn1cccc1
InChIInChI=1S/C9H14N2O2/c12-9(13)5-1-2-6-10-11-7-3-4-8-11/h3-4,7-8,10H,1-2,5-6H2,(H,12,13)
InChIKeyRWEVEKNCLHNOES-UHFFFAOYSA-N
XLogP1.29
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-(pyrrol-1-ylamino)pentanoic 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 5-(pyrrol-1-ylamino)pentanoic acid?
The IUPAC name of 5-(pyrrol-1-ylamino)pentanoic acid (CID 69474410) is 5-(pyrrol-1-ylamino)pentanoic acid.
What is the SMILES notation for 5-(pyrrol-1-ylamino)pentanoic acid?
The canonical SMILES for 5-(pyrrol-1-ylamino)pentanoic acid is O=C(O)CCCCNn1cccc1.
What is the InChIKey of 5-(pyrrol-1-ylamino)pentanoic acid?
The InChIKey is RWEVEKNCLHNOES-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c12-9(13)5-1-2-6-10-11-7-3-4-8-11/h3-4,7-8,10H,1-2,5-6H2,(H,12,13).
What are the key properties of 5-(pyrrol-1-ylamino)pentanoic acid?
5-(pyrrol-1-ylamino)pentanoic acid has a molecular weight of 182.22 g/mol, XLogP of 1.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(pyrrol-1-ylamino)pentanoic acid is sourced from PubChem (CID 69474410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).