2-[methyl(oxan-4-yl)carbamoyl]cyclohexane-1-carboxylic acid

C14H23NO4 — CID 43610807

IUPAC2-[methyl(oxan-4-yl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESCN(C(=O)C1CCCCC1C(=O)O)C1CCOCC1
InChIInChI=1S/C14H23NO4/c1-15(10-6-8-19-9-7-10)13(16)11-4-2-3-5-12(11)14(17)18/h10-12H,2-9H2,1H3,(H,17,18)
InChIKeyOWJPBZYWPBWFPP-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.51
Rot. Bonds3

About 2-[methyl(oxan-4-yl)carbamoyl]cyclohexane-1-carboxylic acid

2-[methyl(oxan-4-yl)carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 43610807) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-[methyl(oxan-4-yl)carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[methyl(oxan-4-yl)carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID43610807
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Name2-[methyl(oxan-4-yl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESCN(C(=O)C1CCCCC1C(=O)O)C1CCOCC1
InChIInChI=1S/C14H23NO4/c1-15(10-6-8-19-9-7-10)13(16)11-4-2-3-5-12(11)14(17)18/h10-12H,2-9H2,1H3,(H,17,18)
InChIKeyOWJPBZYWPBWFPP-UHFFFAOYSA-N
XLogP1.51
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(oxan-4-yl)carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[methyl(oxan-4-yl)carbamoyl]cyclohexane-1-carboxylic acid (CID 43610807) is 2-[methyl(oxan-4-yl)carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[methyl(oxan-4-yl)carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[methyl(oxan-4-yl)carbamoyl]cyclohexane-1-carboxylic acid is CN(C(=O)C1CCCCC1C(=O)O)C1CCOCC1.
What is the InChIKey of 2-[methyl(oxan-4-yl)carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is OWJPBZYWPBWFPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4/c1-15(10-6-8-19-9-7-10)13(16)11-4-2-3-5-12(11)14(17)18/h10-12H,2-9H2,1H3,(H,17,18).
What are the key properties of 2-[methyl(oxan-4-yl)carbamoyl]cyclohexane-1-carboxylic acid?
2-[methyl(oxan-4-yl)carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 269.34 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(oxan-4-yl)carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 43610807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).