1-cyclopropyl-2,4-dioxo-4a,5,6,7,8,8a-hexahydropyrido[2,3-d]pyrimidine-6-carboxylic acid

C11H15N3O4 — CID 74420380

IUPAC1-cyclopropyl-2,4-dioxo-4a,5,6,7,8,8a-hexahydropyrido[2,3-d]pyrimidine-6-carboxylic acid
SMILESO=C(O)C1CNC2C(C1)C(=O)NC(=O)N2C1CC1
InChIInChI=1S/C11H15N3O4/c15-9-7-3-5(10(16)17)4-12-8(7)14(6-1-2-6)11(18)13-9/h5-8,12H,1-4H2,(H,16,17)(H,13,15,18)
InChIKeyCOKOCUOIRUMXHB-UHFFFAOYSA-N
MW253.26 g/mol
LogP-0.66
Rot. Bonds2

About 1-cyclopropyl-2,4-dioxo-4a,5,6,7,8,8a-hexahydropyrido[2,3-d]pyrimidine-6-carboxylic acid

1-cyclopropyl-2,4-dioxo-4a,5,6,7,8,8a-hexahydropyrido[2,3-d]pyrimidine-6-carboxylic acid (PubChem CID 74420380) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 1-cyclopropyl-2,4-dioxo-4a,5,6,7,8,8a-hexahydropyrido[2,3-d]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name1-cyclopropyl-2,4-dioxo-4a,5,6,7,8,8a-hexahydropyrido[2,3-d]pyrimidine-6-carboxylic acid
PubChem CID74420380
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name1-cyclopropyl-2,4-dioxo-4a,5,6,7,8,8a-hexahydropyrido[2,3-d]pyrimidine-6-carboxylic acid
SMILESO=C(O)C1CNC2C(C1)C(=O)NC(=O)N2C1CC1
InChIInChI=1S/C11H15N3O4/c15-9-7-3-5(10(16)17)4-12-8(7)14(6-1-2-6)11(18)13-9/h5-8,12H,1-4H2,(H,16,17)(H,13,15,18)
InChIKeyCOKOCUOIRUMXHB-UHFFFAOYSA-N
XLogP-0.66
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 5-0.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-cyclopropyl-2,4-dioxo-4a,5,6,7,8,8a-hexahydropyrido[2,3-d]pyrimidine-6-carboxylic acid with MolForge

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Related Compounds

5-(2-aminoethyl)-1-cyclopropylimidazolidine-2,4-dione
CID 83876210
(3R,5S)-5-propan-2-ylpyrrolidine-3-carboxylic acid
CID 96735721
3-(2-oxo-1,3-diazinan-1-yl)cyclopentane-1-carboxylic acid
CID 66032376
cis-(1R,3S)-3-(5-methyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)cyclopentane-1-carboxylic acid
CID 114173319
(1S,5S)-8-cyclopropyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid
CID 98112257
(3R,5S,6S)-5,6-dimethylpiperidine-3-carboxylic acid
CID 178194412
5-(4-carboxy-2,3,5,6-tetrafluorophenyl)pyrrolidine-3-carboxylic acid
CID 117492218
cis-(1R,3S)-3-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)cyclopentane-1-carboxylic acid
CID 106321907
(1S,5R)-8-azabicyclo[3.2.1]octane-3,8-dicarboxylic acid
CID 155164101
4-[(1R,2S,6S,7R,8S,9R)-8,9-dibromo-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]cyclohexane-1-carboxylic acid
CID 124773490
(1R,2S,5S)-8-methyl-3-oxo-8-azabicyclo[3.2.1]octane-2-carboxylic acid
CID 102223358
4-[(1S,2S,6S,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]cyclohexane-1-carboxylic acid
CID 6592936

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2,4-dioxo-4a,5,6,7,8,8a-hexahydropyrido[2,3-d]pyrimidine-6-carboxylic acid?
The IUPAC name of 1-cyclopropyl-2,4-dioxo-4a,5,6,7,8,8a-hexahydropyrido[2,3-d]pyrimidine-6-carboxylic acid (CID 74420380) is 1-cyclopropyl-2,4-dioxo-4a,5,6,7,8,8a-hexahydropyrido[2,3-d]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 1-cyclopropyl-2,4-dioxo-4a,5,6,7,8,8a-hexahydropyrido[2,3-d]pyrimidine-6-carboxylic acid?
The canonical SMILES for 1-cyclopropyl-2,4-dioxo-4a,5,6,7,8,8a-hexahydropyrido[2,3-d]pyrimidine-6-carboxylic acid is O=C(O)C1CNC2C(C1)C(=O)NC(=O)N2C1CC1.
What is the InChIKey of 1-cyclopropyl-2,4-dioxo-4a,5,6,7,8,8a-hexahydropyrido[2,3-d]pyrimidine-6-carboxylic acid?
The InChIKey is COKOCUOIRUMXHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c15-9-7-3-5(10(16)17)4-12-8(7)14(6-1-2-6)11(18)13-9/h5-8,12H,1-4H2,(H,16,17)(H,13,15,18).
What are the key properties of 1-cyclopropyl-2,4-dioxo-4a,5,6,7,8,8a-hexahydropyrido[2,3-d]pyrimidine-6-carboxylic acid?
1-cyclopropyl-2,4-dioxo-4a,5,6,7,8,8a-hexahydropyrido[2,3-d]pyrimidine-6-carboxylic acid has a molecular weight of 253.26 g/mol, XLogP of -0.66, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2,4-dioxo-4a,5,6,7,8,8a-hexahydropyrido[2,3-d]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 74420380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).