4-(2-oxo-1H-pyrimidin-6-yl)butanoic acid

C8H10N2O3 — CID 82408016

IUPAC4-(2-oxo-1H-pyrimidin-6-yl)butanoic acid
SMILESO=C(O)CCCc1ccnc(=O)[nH]1
InChIInChI=1S/C8H10N2O3/c11-7(12)3-1-2-6-4-5-9-8(13)10-6/h4-5H,1-3H2,(H,11,12)(H,9,10,13)
InChIKeySROFRPATJXLYHZ-UHFFFAOYSA-N
MW182.18 g/mol
LogP0.18
Rot. Bonds4

About 4-(2-oxo-1H-pyrimidin-6-yl)butanoic acid

4-(2-oxo-1H-pyrimidin-6-yl)butanoic acid (PubChem CID 82408016) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is 4-(2-oxo-1H-pyrimidin-6-yl)butanoic acid.

Molecular Properties

Compound Name4-(2-oxo-1H-pyrimidin-6-yl)butanoic acid
PubChem CID82408016
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name4-(2-oxo-1H-pyrimidin-6-yl)butanoic acid
SMILESO=C(O)CCCc1ccnc(=O)[nH]1
InChIInChI=1S/C8H10N2O3/c11-7(12)3-1-2-6-4-5-9-8(13)10-6/h4-5H,1-3H2,(H,11,12)(H,9,10,13)
InChIKeySROFRPATJXLYHZ-UHFFFAOYSA-N
XLogP0.18
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(2-oxo-1H-pyrimidin-6-yl)butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-amino-4-(2-oxo-1H-pyrimidin-6-yl)butanoic acid
CID 100963395
3-(2-oxo-1H-pyrimidin-6-yl)propanoic acid
CID 82413493
4-(4-amino-2-oxo-1H-pyrimidin-6-yl)butanoic acid
CID 83857321

Frequently Asked Questions

What is the IUPAC name of 4-(2-oxo-1H-pyrimidin-6-yl)butanoic acid?
The IUPAC name of 4-(2-oxo-1H-pyrimidin-6-yl)butanoic acid (CID 82408016) is 4-(2-oxo-1H-pyrimidin-6-yl)butanoic acid.
What is the SMILES notation for 4-(2-oxo-1H-pyrimidin-6-yl)butanoic acid?
The canonical SMILES for 4-(2-oxo-1H-pyrimidin-6-yl)butanoic acid is O=C(O)CCCc1ccnc(=O)[nH]1.
What is the InChIKey of 4-(2-oxo-1H-pyrimidin-6-yl)butanoic acid?
The InChIKey is SROFRPATJXLYHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c11-7(12)3-1-2-6-4-5-9-8(13)10-6/h4-5H,1-3H2,(H,11,12)(H,9,10,13).
What are the key properties of 4-(2-oxo-1H-pyrimidin-6-yl)butanoic acid?
4-(2-oxo-1H-pyrimidin-6-yl)butanoic acid has a molecular weight of 182.18 g/mol, XLogP of 0.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxo-1H-pyrimidin-6-yl)butanoic acid is sourced from PubChem (CID 82408016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).