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

C10H13N3O4 — CID 43469357

IUPAC2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid
SMILESCCC(NC(=O)Cn1cccnc1=O)C(=O)O
InChIInChI=1S/C10H13N3O4/c1-2-7(9(15)16)12-8(14)6-13-5-3-4-11-10(13)17/h3-5,7H,2,6H2,1H3,(H,12,14)(H,15,16)
InChIKeyFWWXNGCZUQXRNE-UHFFFAOYSA-N
MW239.23 g/mol
LogP-0.78
Rot. Bonds5

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

2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid (PubChem CID 43469357) has the molecular formula C10H13N3O4 and a molecular weight of 239.23 g/mol. Its IUPAC name is 2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid.

Molecular Properties

Compound Name2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid
PubChem CID43469357
Molecular FormulaC10H13N3O4
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Name2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid
SMILESCCC(NC(=O)Cn1cccnc1=O)C(=O)O
InChIInChI=1S/C10H13N3O4/c1-2-7(9(15)16)12-8(14)6-13-5-3-4-11-10(13)17/h3-5,7H,2,6H2,1H3,(H,12,14)(H,15,16)
InChIKeyFWWXNGCZUQXRNE-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

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid?
The IUPAC name of 2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid (CID 43469357) is 2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid.
What is the SMILES notation for 2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid?
The canonical SMILES for 2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid is CCC(NC(=O)Cn1cccnc1=O)C(=O)O.
What is the InChIKey of 2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid?
The InChIKey is FWWXNGCZUQXRNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4/c1-2-7(9(15)16)12-8(14)6-13-5-3-4-11-10(13)17/h3-5,7H,2,6H2,1H3,(H,12,14)(H,15,16).
What are the key properties of 2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid?
2-[[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 2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoic acid is sourced from PubChem (CID 43469357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).