2-amino-5-(2H-pyrimidin-1-yl)pentanoic acid

C9H15N3O2 — CID 22326339

IUPAC2-amino-5-(2H-pyrimidin-1-yl)pentanoic acid
SMILESNC(CCCN1C=CC=NC1)C(=O)O
InChIInChI=1S/C9H15N3O2/c10-8(9(13)14)3-1-5-12-6-2-4-11-7-12/h2,4,6,8H,1,3,5,7,10H2,(H,13,14)
InChIKeyOOJGWWWFDUJJOG-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.04
Rot. Bonds5

About 2-amino-5-(2H-pyrimidin-1-yl)pentanoic acid

2-amino-5-(2H-pyrimidin-1-yl)pentanoic acid (PubChem CID 22326339) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 2-amino-5-(2H-pyrimidin-1-yl)pentanoic acid.

Molecular Properties

Compound Name2-amino-5-(2H-pyrimidin-1-yl)pentanoic acid
PubChem CID22326339
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name2-amino-5-(2H-pyrimidin-1-yl)pentanoic acid
SMILESNC(CCCN1C=CC=NC1)C(=O)O
InChIInChI=1S/C9H15N3O2/c10-8(9(13)14)3-1-5-12-6-2-4-11-7-12/h2,4,6,8H,1,3,5,7,10H2,(H,13,14)
InChIKeyOOJGWWWFDUJJOG-UHFFFAOYSA-N
XLogP0.04
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-5-(2H-pyrimidin-1-yl)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 2-amino-5-(2H-pyrimidin-1-yl)pentanoic acid?
The IUPAC name of 2-amino-5-(2H-pyrimidin-1-yl)pentanoic acid (CID 22326339) is 2-amino-5-(2H-pyrimidin-1-yl)pentanoic acid.
What is the SMILES notation for 2-amino-5-(2H-pyrimidin-1-yl)pentanoic acid?
The canonical SMILES for 2-amino-5-(2H-pyrimidin-1-yl)pentanoic acid is NC(CCCN1C=CC=NC1)C(=O)O.
What is the InChIKey of 2-amino-5-(2H-pyrimidin-1-yl)pentanoic acid?
The InChIKey is OOJGWWWFDUJJOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c10-8(9(13)14)3-1-5-12-6-2-4-11-7-12/h2,4,6,8H,1,3,5,7,10H2,(H,13,14).
What are the key properties of 2-amino-5-(2H-pyrimidin-1-yl)pentanoic acid?
2-amino-5-(2H-pyrimidin-1-yl)pentanoic acid has a molecular weight of 197.24 g/mol, XLogP of 0.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(2H-pyrimidin-1-yl)pentanoic acid is sourced from PubChem (CID 22326339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).