1-(2-oxopyrimidin-1-yl)cyclohexane-1-carboxylic acid

C11H14N2O3 — CID 82235599

IUPAC1-(2-oxopyrimidin-1-yl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1(n2cccnc2=O)CCCCC1
InChIInChI=1S/C11H14N2O3/c14-9(15)11(5-2-1-3-6-11)13-8-4-7-12-10(13)16/h4,7-8H,1-3,5-6H2,(H,14,15)
InChIKeyXJCINFQBATZQEL-UHFFFAOYSA-N
MW222.24 g/mol
LogP0.99
Rot. Bonds2

About 1-(2-oxopyrimidin-1-yl)cyclohexane-1-carboxylic acid

1-(2-oxopyrimidin-1-yl)cyclohexane-1-carboxylic acid (PubChem CID 82235599) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 1-(2-oxopyrimidin-1-yl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-oxopyrimidin-1-yl)cyclohexane-1-carboxylic acid
PubChem CID82235599
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name1-(2-oxopyrimidin-1-yl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1(n2cccnc2=O)CCCCC1
InChIInChI=1S/C11H14N2O3/c14-9(15)11(5-2-1-3-6-11)13-8-4-7-12-10(13)16/h4,7-8H,1-3,5-6H2,(H,14,15)
InChIKeyXJCINFQBATZQEL-UHFFFAOYSA-N
XLogP0.99
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[2-(2-Oxopyrimidin-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 43172030
1-(2-Oxopyrimidin-1-yl)cyclopentane-1-carboxylic acid
CID 82235586
2-(2-Oxopyrimidin-1-yl)cyclohexane-1-carboxylic acid
CID 84016648
4-(2-Oxopyrimidin-1-yl)cyclohexane-1-carboxylic acid
CID 84016649
2-[4-(2-Oxopyrimidin-1-yl)cyclohexyl]acetic acid
CID 84018059
4-[(2-Oxopyrimidin-1-yl)methyl]cyclohexane-1-carboxylic acid
CID 84018060
2-(2-Oxopyrimidin-1-yl)-2-propylpentanoic acid
CID 93826743
2-Methyl-2-(2-oxopyrimidin-1-yl)pentanoic acid
CID 114989456
2,5-Dimethyl-2-(2-oxopyrimidin-1-yl)hexanoic acid
CID 114990602
2-Methyl-1-(2-oxopyrimidin-1-yl)cyclohexane-1-carboxylic acid
CID 114992284
3-Methyl-1-(2-oxopyrimidin-1-yl)cyclohexane-1-carboxylic acid
CID 114992285
4-Methyl-1-(2-oxopyrimidin-1-yl)cyclohexane-1-carboxylic acid
CID 114992286

Frequently Asked Questions

What is the IUPAC name of 1-(2-oxopyrimidin-1-yl)cyclohexane-1-carboxylic acid?
The IUPAC name of 1-(2-oxopyrimidin-1-yl)cyclohexane-1-carboxylic acid (CID 82235599) is 1-(2-oxopyrimidin-1-yl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(2-oxopyrimidin-1-yl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(2-oxopyrimidin-1-yl)cyclohexane-1-carboxylic acid is O=C(O)C1(n2cccnc2=O)CCCCC1.
What is the InChIKey of 1-(2-oxopyrimidin-1-yl)cyclohexane-1-carboxylic acid?
The InChIKey is XJCINFQBATZQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c14-9(15)11(5-2-1-3-6-11)13-8-4-7-12-10(13)16/h4,7-8H,1-3,5-6H2,(H,14,15).
What are the key properties of 1-(2-oxopyrimidin-1-yl)cyclohexane-1-carboxylic acid?
1-(2-oxopyrimidin-1-yl)cyclohexane-1-carboxylic acid has a molecular weight of 222.24 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-oxopyrimidin-1-yl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 82235599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).