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

C10H13N3O5 — CID 43353680

IUPAC3-hydroxy-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid
SMILESCC(O)C(NC(=O)Cn1cccnc1=O)C(=O)O
InChIInChI=1S/C10H13N3O5/c1-6(14)8(9(16)17)12-7(15)5-13-4-2-3-11-10(13)18/h2-4,6,8,14H,5H2,1H3,(H,12,15)(H,16,17)
InChIKeyIZAPNEBRLCVGTJ-UHFFFAOYSA-N
MW255.23 g/mol
LogP-1.81
Rot. Bonds5

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

3-hydroxy-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid (PubChem CID 43353680) has the molecular formula C10H13N3O5 and a molecular weight of 255.23 g/mol. Its IUPAC name is 3-hydroxy-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid.

Molecular Properties

Compound Name3-hydroxy-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid
PubChem CID43353680
Molecular FormulaC10H13N3O5
Molecular Weight255.23 g/mol
Exact Mass255.09
IUPAC Name3-hydroxy-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid
SMILESCC(O)C(NC(=O)Cn1cccnc1=O)C(=O)O
InChIInChI=1S/C10H13N3O5/c1-6(14)8(9(16)17)12-7(15)5-13-4-2-3-11-10(13)18/h2-4,6,8,14H,5H2,1H3,(H,12,15)(H,16,17)
InChIKeyIZAPNEBRLCVGTJ-UHFFFAOYSA-N
XLogP-1.81
TPSA121.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.23
LogP ≤ 5-1.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-hydroxy-2-[[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

2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid
CID 43355310
N-(1-hydroxypropan-2-yl)-2-(2-oxopyrimidin-1-yl)acetamide
CID 43428142
(2S)-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanedioic acid
CID 61151882
methyl 2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoate
CID 113252770
methyl 3-hydroxy-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoate
CID 43623505
2-methoxy-3-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid
CID 106107921
N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-2-(2-oxopyrimidin-1-yl)acetamide
CID 33142762
N-(2-ethylbutyl)-2-(2-oxopyrimidin-1-yl)acetamide
CID 113232058
3-hydroxy-2-[(2-pyridin-2-ylacetyl)amino]butanoic acid
CID 43151207
2-[[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]amino]-3-hydroxybutanoic acid
CID 43353579
3-methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]benzoic acid
CID 43358338
2-[1-[2-(2-oxopyrimidin-1-yl)acetyl]azetidin-3-yl]propanoic acid
CID 116681387

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid?
The IUPAC name of 3-hydroxy-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid (CID 43353680) is 3-hydroxy-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid.
What is the SMILES notation for 3-hydroxy-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid?
The canonical SMILES for 3-hydroxy-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid is CC(O)C(NC(=O)Cn1cccnc1=O)C(=O)O.
What is the InChIKey of 3-hydroxy-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid?
The InChIKey is IZAPNEBRLCVGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O5/c1-6(14)8(9(16)17)12-7(15)5-13-4-2-3-11-10(13)18/h2-4,6,8,14H,5H2,1H3,(H,12,15)(H,16,17).
What are the key properties of 3-hydroxy-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid?
3-hydroxy-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid has a molecular weight of 255.23 g/mol, XLogP of -1.81, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid is sourced from PubChem (CID 43353680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).