3-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid

C10H13N3O4 — CID 43360866

IUPAC3-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid
SMILESCC(CC(=O)O)NC(=O)Cn1cccnc1=O
InChIInChI=1S/C10H13N3O4/c1-7(5-9(15)16)12-8(14)6-13-4-2-3-11-10(13)17/h2-4,7H,5-6H2,1H3,(H,12,14)(H,15,16)
InChIKeyLQNWHKPXHHJVCO-UHFFFAOYSA-N
MW239.23 g/mol
LogP-0.78
Rot. Bonds5

About 3-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid

3-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid (PubChem CID 43360866) has the molecular formula C10H13N3O4 and a molecular weight of 239.23 g/mol. Its IUPAC name is 3-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid.

Molecular Properties

Compound Name3-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid
PubChem CID43360866
Molecular FormulaC10H13N3O4
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Name3-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid
SMILESCC(CC(=O)O)NC(=O)Cn1cccnc1=O
InChIInChI=1S/C10H13N3O4/c1-7(5-9(15)16)12-8(14)6-13-4-2-3-11-10(13)17/h2-4,7H,5-6H2,1H3,(H,12,14)(H,15,16)
InChIKeyLQNWHKPXHHJVCO-UHFFFAOYSA-N
XLogP-0.78
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]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

Fermium;2-[2-(oxomethylamino)ethyl-[3-(2-oxopyrimidin-1-yl)propanoyl]amino]acetic acid
CID 166460116
3-Methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid
CID 43170393
4-Methylsulfanyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid
CID 43353420
3-Hydroxy-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid
CID 43353680
3-[[2-(2-Oxopyrimidin-1-yl)acetyl]amino]propanoic acid
CID 43354788
4-[[2-(2-Oxopyrimidin-1-yl)acetyl]amino]butanoic acid
CID 43355048
2-[[2-(2-Oxopyrimidin-1-yl)acetyl]amino]propanoic acid
CID 43355310
4-Amino-4-oxo-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid
CID 43357093
3,3-Dimethyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid
CID 43467500
2-[[2-(2-Oxopyrimidin-1-yl)acetyl]amino]butanoic acid
CID 43469357
2-[[2-(2-Oxopyrimidin-1-yl)acetyl]amino]pentanoic acid
CID 43630438
3-[Cyclopropyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid
CID 54926593

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid?
The IUPAC name of 3-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid (CID 43360866) is 3-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid.
What is the SMILES notation for 3-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid?
The canonical SMILES for 3-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid is CC(CC(=O)O)NC(=O)Cn1cccnc1=O.
What is the InChIKey of 3-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid?
The InChIKey is LQNWHKPXHHJVCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4/c1-7(5-9(15)16)12-8(14)6-13-4-2-3-11-10(13)17/h2-4,7H,5-6H2,1H3,(H,12,14)(H,15,16).
What are the key properties of 3-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid?
3-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid has a molecular weight of 239.23 g/mol, XLogP of -0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid is sourced from PubChem (CID 43360866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).