3-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]propanoic acid

C12H11N3O4 — CID 43170698

IUPAC3-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]propanoic acid
SMILESO=C(O)CCNC(=O)c1cnc2ccccn2c1=O
InChIInChI=1S/C12H11N3O4/c16-10(17)4-5-13-11(18)8-7-14-9-3-1-2-6-15(9)12(8)19/h1-3,6-7H,4-5H2,(H,13,18)(H,16,17)
InChIKeyBJPJFCHHSSCWOY-UHFFFAOYSA-N
MW261.24 g/mol
LogP-0.10
Rot. Bonds4

About 3-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]propanoic acid

3-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]propanoic acid (PubChem CID 43170698) has the molecular formula C12H11N3O4 and a molecular weight of 261.24 g/mol. Its IUPAC name is 3-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]propanoic acid
PubChem CID43170698
Molecular FormulaC12H11N3O4
Molecular Weight261.24 g/mol
Exact Mass261.07
IUPAC Name3-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]propanoic acid
SMILESO=C(O)CCNC(=O)c1cnc2ccccn2c1=O
InChIInChI=1S/C12H11N3O4/c16-10(17)4-5-13-11(18)8-7-14-9-3-1-2-6-15(9)12(8)19/h1-3,6-7H,4-5H2,(H,13,18)(H,16,17)
InChIKeyBJPJFCHHSSCWOY-UHFFFAOYSA-N
XLogP-0.10
TPSA100.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]propanoic acid?
The IUPAC name of 3-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]propanoic acid (CID 43170698) is 3-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]propanoic acid is O=C(O)CCNC(=O)c1cnc2ccccn2c1=O.
What is the InChIKey of 3-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]propanoic acid?
The InChIKey is BJPJFCHHSSCWOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O4/c16-10(17)4-5-13-11(18)8-7-14-9-3-1-2-6-15(9)12(8)19/h1-3,6-7H,4-5H2,(H,13,18)(H,16,17).
What are the key properties of 3-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]propanoic acid?
3-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]propanoic acid has a molecular weight of 261.24 g/mol, XLogP of -0.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 43170698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).