4-[(2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carbonyl)amino]butanoic acid

C12H12N4O5 — CID 119352749

IUPAC4-[(2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carbonyl)amino]butanoic acid
SMILESO=C(O)CCCNC(=O)c1cnc2[nH]c(=O)[nH]c(=O)c2c1
InChIInChI=1S/C12H12N4O5/c17-8(18)2-1-3-13-10(19)6-4-7-9(14-5-6)15-12(21)16-11(7)20/h4-5H,1-3H2,(H,13,19)(H,17,18)(H2,14,15,16,20,21)
InChIKeyKFTRYUCIKXEKPZ-UHFFFAOYSA-N
MW292.25 g/mol
LogP-0.79
Rot. Bonds5

About 4-[(2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carbonyl)amino]butanoic acid

4-[(2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carbonyl)amino]butanoic acid (PubChem CID 119352749) has the molecular formula C12H12N4O5 and a molecular weight of 292.25 g/mol. Its IUPAC name is 4-[(2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[(2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carbonyl)amino]butanoic acid
PubChem CID119352749
Molecular FormulaC12H12N4O5
Molecular Weight292.25 g/mol
Exact Mass292.08
IUPAC Name4-[(2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carbonyl)amino]butanoic acid
SMILESO=C(O)CCCNC(=O)c1cnc2[nH]c(=O)[nH]c(=O)c2c1
InChIInChI=1S/C12H12N4O5/c17-8(18)2-1-3-13-10(19)6-4-7-9(14-5-6)15-12(21)16-11(7)20/h4-5H,1-3H2,(H,13,19)(H,17,18)(H2,14,15,16,20,21)
InChIKeyKFTRYUCIKXEKPZ-UHFFFAOYSA-N
XLogP-0.79
TPSA145.01 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.25
LogP ≤ 5-0.79
H-Bond Donors ≤ 54
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-[(2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carbonyl)amino]butanoic acid?
The IUPAC name of 4-[(2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carbonyl)amino]butanoic acid (CID 119352749) is 4-[(2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carbonyl)amino]butanoic acid.
What is the SMILES notation for 4-[(2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carbonyl)amino]butanoic acid?
The canonical SMILES for 4-[(2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carbonyl)amino]butanoic acid is O=C(O)CCCNC(=O)c1cnc2[nH]c(=O)[nH]c(=O)c2c1.
What is the InChIKey of 4-[(2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carbonyl)amino]butanoic acid?
The InChIKey is KFTRYUCIKXEKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O5/c17-8(18)2-1-3-13-10(19)6-4-7-9(14-5-6)15-12(21)16-11(7)20/h4-5H,1-3H2,(H,13,19)(H,17,18)(H2,14,15,16,20,21).
What are the key properties of 4-[(2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carbonyl)amino]butanoic acid?
4-[(2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carbonyl)amino]butanoic acid has a molecular weight of 292.25 g/mol, XLogP of -0.79, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carbonyl)amino]butanoic acid is sourced from PubChem (CID 119352749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).