1-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]cyclohexane-1-carboxylic acid

C12H15N3O5 — CID 28773374

IUPAC1-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCCCC1)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C12H15N3O5/c16-8-7(6-13-11(20)14-8)9(17)15-12(10(18)19)4-2-1-3-5-12/h6H,1-5H2,(H,15,17)(H,18,19)(H2,13,14,16,20)
InChIKeyGBJOSVGIVZFRRJ-UHFFFAOYSA-N
MW281.27 g/mol
LogP-0.42
Rot. Bonds3

About 1-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]cyclohexane-1-carboxylic acid

1-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 28773374) has the molecular formula C12H15N3O5 and a molecular weight of 281.27 g/mol. Its IUPAC name is 1-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID28773374
Molecular FormulaC12H15N3O5
Molecular Weight281.27 g/mol
Exact Mass281.10
IUPAC Name1-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCCCC1)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C12H15N3O5/c16-8-7(6-13-11(20)14-8)9(17)15-12(10(18)19)4-2-1-3-5-12/h6H,1-5H2,(H,15,17)(H,18,19)(H2,13,14,16,20)
InChIKeyGBJOSVGIVZFRRJ-UHFFFAOYSA-N
XLogP-0.42
TPSA132.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 5-0.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 1-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]cyclohexane-1-carboxylic acid with MolForge

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Related Compounds

(2S)-1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)piperidine-2-carboxylic acid
CID 28773324
(2R)-1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)piperidine-2-carboxylic acid
CID 28773326
7-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]heptanoic acid
CID 28773376
1-[(2-Oxo-1,3-dihydroimidazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 28791141
1-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-4-methylcyclohexane-1-carboxylic acid
CID 43163109
1-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 43163206
1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)piperidine-2-carboxylic acid
CID 43209503
1-{[(2,4-Dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)carbonyl]amino}cyclopentanecarboxylic acid
CID 43341192
1-[[2-(2,4-Dioxopyrimidin-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 43358913
2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]hexanoic acid
CID 43469900
2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-2-methylpentanoic acid
CID 43619088
4-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 60808060

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 28773374) is 1-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]cyclohexane-1-carboxylic acid is O=C(NC1(C(=O)O)CCCCC1)c1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of 1-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is GBJOSVGIVZFRRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O5/c16-8-7(6-13-11(20)14-8)9(17)15-12(10(18)19)4-2-1-3-5-12/h6H,1-5H2,(H,15,17)(H,18,19)(H2,13,14,16,20).
What are the key properties of 1-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]cyclohexane-1-carboxylic acid?
1-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 281.27 g/mol, XLogP of -0.42, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 28773374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).