5-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanoic acid

C11H15N3O4 — CID 62032685

IUPAC5-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanoic acid
SMILESO=C(O)CCCCNC(=O)Cn1cccnc1=O
InChIInChI=1S/C11H15N3O4/c15-9(12-5-2-1-4-10(16)17)8-14-7-3-6-13-11(14)18/h3,6-7H,1-2,4-5,8H2,(H,12,15)(H,16,17)
InChIKeyVYEMVMNDOKZRPL-UHFFFAOYSA-N
MW253.26 g/mol
LogP-0.39
Rot. Bonds7

About 5-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanoic acid

5-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanoic acid (PubChem CID 62032685) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 5-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanoic acid.

Molecular Properties

Compound Name5-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanoic acid
PubChem CID62032685
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name5-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanoic acid
SMILESO=C(O)CCCCNC(=O)Cn1cccnc1=O
InChIInChI=1S/C11H15N3O4/c15-9(12-5-2-1-4-10(16)17)8-14-7-3-6-13-11(14)18/h3,6-7H,1-2,4-5,8H2,(H,12,15)(H,16,17)
InChIKeyVYEMVMNDOKZRPL-UHFFFAOYSA-N
XLogP-0.39
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 5-0.39
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 5-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanoic acid?
The IUPAC name of 5-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanoic acid (CID 62032685) is 5-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanoic acid.
What is the SMILES notation for 5-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanoic acid?
The canonical SMILES for 5-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanoic acid is O=C(O)CCCCNC(=O)Cn1cccnc1=O.
What is the InChIKey of 5-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanoic acid?
The InChIKey is VYEMVMNDOKZRPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c15-9(12-5-2-1-4-10(16)17)8-14-7-3-6-13-11(14)18/h3,6-7H,1-2,4-5,8H2,(H,12,15)(H,16,17).
What are the key properties of 5-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanoic acid?
5-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanoic acid has a molecular weight of 253.26 g/mol, XLogP of -0.39, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanoic acid is sourced from PubChem (CID 62032685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).