2-amino-6-pyrrol-1-ylhexanoic acid

C10H16N2O2 — CID 15800938

IUPAC2-amino-6-pyrrol-1-ylhexanoic acid
SMILESNC(CCCCn1cccc1)C(=O)O
InChIInChI=1S/C10H16N2O2/c11-9(10(13)14)5-1-2-6-12-7-3-4-8-12/h3-4,7-9H,1-2,5-6,11H2,(H,13,14)
InChIKeyKVCPIDDKLUDCQJ-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.07
Rot. Bonds6

About 2-amino-6-pyrrol-1-ylhexanoic acid

2-amino-6-pyrrol-1-ylhexanoic acid (PubChem CID 15800938) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-amino-6-pyrrol-1-ylhexanoic acid.

Molecular Properties

Compound Name2-amino-6-pyrrol-1-ylhexanoic acid
PubChem CID15800938
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name2-amino-6-pyrrol-1-ylhexanoic acid
SMILESNC(CCCCn1cccc1)C(=O)O
InChIInChI=1S/C10H16N2O2/c11-9(10(13)14)5-1-2-6-12-7-3-4-8-12/h3-4,7-9H,1-2,5-6,11H2,(H,13,14)
InChIKeyKVCPIDDKLUDCQJ-UHFFFAOYSA-N
XLogP1.07
TPSA68.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-amino-6-pyrrol-1-ylhexanoic 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 2-amino-6-pyrrol-1-ylhexanoic acid?
The IUPAC name of 2-amino-6-pyrrol-1-ylhexanoic acid (CID 15800938) is 2-amino-6-pyrrol-1-ylhexanoic acid.
What is the SMILES notation for 2-amino-6-pyrrol-1-ylhexanoic acid?
The canonical SMILES for 2-amino-6-pyrrol-1-ylhexanoic acid is NC(CCCCn1cccc1)C(=O)O.
What is the InChIKey of 2-amino-6-pyrrol-1-ylhexanoic acid?
The InChIKey is KVCPIDDKLUDCQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c11-9(10(13)14)5-1-2-6-12-7-3-4-8-12/h3-4,7-9H,1-2,5-6,11H2,(H,13,14).
What are the key properties of 2-amino-6-pyrrol-1-ylhexanoic acid?
2-amino-6-pyrrol-1-ylhexanoic acid has a molecular weight of 196.25 g/mol, XLogP of 1.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-pyrrol-1-ylhexanoic acid is sourced from PubChem (CID 15800938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).