2-amino-5-pyridin-4-ylpent-4-enoic acid

C10H12N2O2 — CID 67375664

IUPAC2-amino-5-pyridin-4-ylpent-4-enoic acid
SMILESNC(CC=Cc1ccncc1)C(=O)O
InChIInChI=1S/C10H12N2O2/c11-9(10(13)14)3-1-2-8-4-6-12-7-5-8/h1-2,4-7,9H,3,11H2,(H,13,14)
InChIKeyHXFLXMSKPQETRQ-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.90
Rot. Bonds4

About 2-amino-5-pyridin-4-ylpent-4-enoic acid

2-amino-5-pyridin-4-ylpent-4-enoic acid (PubChem CID 67375664) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 2-amino-5-pyridin-4-ylpent-4-enoic acid.

Molecular Properties

Compound Name2-amino-5-pyridin-4-ylpent-4-enoic acid
PubChem CID67375664
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name2-amino-5-pyridin-4-ylpent-4-enoic acid
SMILESNC(CC=Cc1ccncc1)C(=O)O
InChIInChI=1S/C10H12N2O2/c11-9(10(13)14)3-1-2-8-4-6-12-7-5-8/h1-2,4-7,9H,3,11H2,(H,13,14)
InChIKeyHXFLXMSKPQETRQ-UHFFFAOYSA-N
XLogP0.90
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-amino-5-pyridin-4-ylpent-4-enoic 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-5-pyridin-4-ylpent-4-enoic acid?
The IUPAC name of 2-amino-5-pyridin-4-ylpent-4-enoic acid (CID 67375664) is 2-amino-5-pyridin-4-ylpent-4-enoic acid.
What is the SMILES notation for 2-amino-5-pyridin-4-ylpent-4-enoic acid?
The canonical SMILES for 2-amino-5-pyridin-4-ylpent-4-enoic acid is NC(CC=Cc1ccncc1)C(=O)O.
What is the InChIKey of 2-amino-5-pyridin-4-ylpent-4-enoic acid?
The InChIKey is HXFLXMSKPQETRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c11-9(10(13)14)3-1-2-8-4-6-12-7-5-8/h1-2,4-7,9H,3,11H2,(H,13,14).
What are the key properties of 2-amino-5-pyridin-4-ylpent-4-enoic acid?
2-amino-5-pyridin-4-ylpent-4-enoic acid has a molecular weight of 192.22 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-pyridin-4-ylpent-4-enoic acid is sourced from PubChem (CID 67375664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).