3-[(2,2-dimethyloxan-4-yl)carbamoyl]cyclohexane-1-carboxylic acid

C15H25NO4 — CID 83028917

IUPAC3-[(2,2-dimethyloxan-4-yl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESCC1(C)CC(NC(=O)C2CCCC(C(=O)O)C2)CCO1
InChIInChI=1S/C15H25NO4/c1-15(2)9-12(6-7-20-15)16-13(17)10-4-3-5-11(8-10)14(18)19/h10-12H,3-9H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyGZZWTRSFVXFTCC-UHFFFAOYSA-N
MW283.37 g/mol
LogP1.95
Rot. Bonds3

About 3-[(2,2-dimethyloxan-4-yl)carbamoyl]cyclohexane-1-carboxylic acid

3-[(2,2-dimethyloxan-4-yl)carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 83028917) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is 3-[(2,2-dimethyloxan-4-yl)carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(2,2-dimethyloxan-4-yl)carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID83028917
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Name3-[(2,2-dimethyloxan-4-yl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESCC1(C)CC(NC(=O)C2CCCC(C(=O)O)C2)CCO1
InChIInChI=1S/C15H25NO4/c1-15(2)9-12(6-7-20-15)16-13(17)10-4-3-5-11(8-10)14(18)19/h10-12H,3-9H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyGZZWTRSFVXFTCC-UHFFFAOYSA-N
XLogP1.95
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1S,2R)-2-[(2,2-dimethyloxan-4-yl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114092749
3-(oxan-4-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 55235400
(2R,5S)-5-[(2,2-dimethyloxan-4-yl)carbamoyl]oxolane-2-carboxylic acid
CID 102945599
1-cyclohexyl-N-(2,2-dimethyloxan-4-yl)azetidine-3-carboxamide
CID 122152344
(4R)-N-cyclohexyl-2,2-dimethyloxane-4-carboxamide
CID 929884
4-amino-N-(2,2-dimethyloxan-4-yl)-2-methylcyclohexane-1-carboxamide
CID 83039312
N-(2,2-dimethyloxan-4-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 71702861
3-[(3,3,5,5-tetramethylcyclohexyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103551110
N-(2,2-dimethyloxan-4-yl)-2-methylpyrrolidine-3-carboxamide
CID 83032762
3-(cyclopropylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103549764
N-(2,2-dimethyloxan-4-yl)-2-(methylamino)propanamide
CID 83033010
3-(cyclooctylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103549818

Frequently Asked Questions

What is the IUPAC name of 3-[(2,2-dimethyloxan-4-yl)carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 3-[(2,2-dimethyloxan-4-yl)carbamoyl]cyclohexane-1-carboxylic acid (CID 83028917) is 3-[(2,2-dimethyloxan-4-yl)carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-[(2,2-dimethyloxan-4-yl)carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-[(2,2-dimethyloxan-4-yl)carbamoyl]cyclohexane-1-carboxylic acid is CC1(C)CC(NC(=O)C2CCCC(C(=O)O)C2)CCO1.
What is the InChIKey of 3-[(2,2-dimethyloxan-4-yl)carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is GZZWTRSFVXFTCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4/c1-15(2)9-12(6-7-20-15)16-13(17)10-4-3-5-11(8-10)14(18)19/h10-12H,3-9H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 3-[(2,2-dimethyloxan-4-yl)carbamoyl]cyclohexane-1-carboxylic acid?
3-[(2,2-dimethyloxan-4-yl)carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 283.37 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,2-dimethyloxan-4-yl)carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 83028917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).