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

C12H15N3O5 — CID 60808060

IUPAC4-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESO=C(NC1CCC(C(=O)O)CC1)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C12H15N3O5/c16-9(8-5-13-12(20)15-10(8)17)14-7-3-1-6(2-4-7)11(18)19/h5-7H,1-4H2,(H,14,16)(H,18,19)(H2,13,15,17,20)
InChIKeyQDLDXJVLSRKTCB-UHFFFAOYSA-N
MW281.27 g/mol
LogP-0.56
Rot. Bonds3

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

4-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 60808060) has the molecular formula C12H15N3O5 and a molecular weight of 281.27 g/mol. Its IUPAC name is 4-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID60808060
Molecular FormulaC12H15N3O5
Molecular Weight281.27 g/mol
Exact Mass281.10
IUPAC Name4-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESO=C(NC1CCC(C(=O)O)CC1)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C12H15N3O5/c16-9(8-5-13-12(20)15-10(8)17)14-7-3-1-6(2-4-7)11(18)19/h5-7H,1-4H2,(H,14,16)(H,18,19)(H2,13,15,17,20)
InChIKeyQDLDXJVLSRKTCB-UHFFFAOYSA-N
XLogP-0.56
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 ≤ 5-0.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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

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Related Compounds

2-[3-Amino-4-(5-methyl-2,4-dioxopyrimidin-1-yl)cyclohexyl]acetic acid
CID 9838638
4-[5-(Carboxymethylcarbamoyl)-3-cyclohexyl-6-hydroxy-2,4-dioxopyrimidin-1-yl]cyclohexane-1-carboxylic acid
CID 24830562
2-[(1R,3S,4S)-3-(methylamino)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)cyclohexyl]acetic acid
CID 60131862
2-[(1R,3S,4S)-4-(3,5-dimethyl-2,4-dioxopyrimidin-1-yl)-3-(methylamino)cyclohexyl]acetic acid
CID 60131869
2-[(1R,3S,4R)-3-(methylamino)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)cyclohexyl]acetic acid
CID 91036461
2-[(1R,3S,4R)-4-(3,5-dimethyl-2,4-dioxopyrimidin-1-yl)-3-(methylamino)cyclohexyl]acetic acid
CID 91036463
2-[(1S,3S,4S)-3-amino-4-(5-methyl-2,4-dioxopyrimidin-1-yl)cyclohexyl]acetic acid
CID 11044198
1-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 28773374
4-[(2-Oxo-1,3-dihydroimidazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 60808388
4-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 60808869
4-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 60809516
4-[[2-(2,4-Dioxopyrimidin-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 60810355

Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 60808060) is 4-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]cyclohexane-1-carboxylic acid is O=C(NC1CCC(C(=O)O)CC1)c1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of 4-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is QDLDXJVLSRKTCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O5/c16-9(8-5-13-12(20)15-10(8)17)14-7-3-1-6(2-4-7)11(18)19/h5-7H,1-4H2,(H,14,16)(H,18,19)(H2,13,15,17,20).
What are the key properties of 4-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]cyclohexane-1-carboxylic acid?
4-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 281.27 g/mol, XLogP of -0.56, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 60808060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).