4-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid

C10H13N3O4 — CID 43355048

IUPAC4-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid
SMILESO=C(O)CCCNC(=O)Cn1cccnc1=O
InChIInChI=1S/C10H13N3O4/c14-8(11-4-1-3-9(15)16)7-13-6-2-5-12-10(13)17/h2,5-6H,1,3-4,7H2,(H,11,14)(H,15,16)
InChIKeyGMUAZUJKDRGKMI-UHFFFAOYSA-N
MW239.23 g/mol
LogP-0.78
Rot. Bonds6

About 4-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid

4-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid (PubChem CID 43355048) has the molecular formula C10H13N3O4 and a molecular weight of 239.23 g/mol. Its IUPAC name is 4-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid.

Molecular Properties

Compound Name4-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid
PubChem CID43355048
Molecular FormulaC10H13N3O4
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Name4-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid
SMILESO=C(O)CCCNC(=O)Cn1cccnc1=O
InChIInChI=1S/C10H13N3O4/c14-8(11-4-1-3-9(15)16)7-13-6-2-5-12-10(13)17/h2,5-6H,1,3-4,7H2,(H,11,14)(H,15,16)
InChIKeyGMUAZUJKDRGKMI-UHFFFAOYSA-N
XLogP-0.78
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid?
The IUPAC name of 4-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid (CID 43355048) is 4-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid.
What is the SMILES notation for 4-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid?
The canonical SMILES for 4-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid is O=C(O)CCCNC(=O)Cn1cccnc1=O.
What is the InChIKey of 4-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid?
The InChIKey is GMUAZUJKDRGKMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4/c14-8(11-4-1-3-9(15)16)7-13-6-2-5-12-10(13)17/h2,5-6H,1,3-4,7H2,(H,11,14)(H,15,16).
What are the key properties of 4-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid?
4-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid has a molecular weight of 239.23 g/mol, XLogP of -0.78, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid is sourced from PubChem (CID 43355048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).