4-[methyl-[(4-methylcyclohexyl)methyl]amino]oxolane-3-carboxylic acid

C14H25NO3 — CID 66266491

IUPAC4-[methyl-[(4-methylcyclohexyl)methyl]amino]oxolane-3-carboxylic acid
SMILESCC1CCC(CN(C)C2COCC2C(=O)O)CC1
InChIInChI=1S/C14H25NO3/c1-10-3-5-11(6-4-10)7-15(2)13-9-18-8-12(13)14(16)17/h10-13H,3-9H2,1-2H3,(H,16,17)
InChIKeyDTSCANMDWVJAPF-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.84
Rot. Bonds4

About 4-[methyl-[(4-methylcyclohexyl)methyl]amino]oxolane-3-carboxylic acid

4-[methyl-[(4-methylcyclohexyl)methyl]amino]oxolane-3-carboxylic acid (PubChem CID 66266491) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 4-[methyl-[(4-methylcyclohexyl)methyl]amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[methyl-[(4-methylcyclohexyl)methyl]amino]oxolane-3-carboxylic acid
PubChem CID66266491
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name4-[methyl-[(4-methylcyclohexyl)methyl]amino]oxolane-3-carboxylic acid
SMILESCC1CCC(CN(C)C2COCC2C(=O)O)CC1
InChIInChI=1S/C14H25NO3/c1-10-3-5-11(6-4-10)7-15(2)13-9-18-8-12(13)14(16)17/h10-13H,3-9H2,1-2H3,(H,16,17)
InChIKeyDTSCANMDWVJAPF-UHFFFAOYSA-N
XLogP1.84
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[methyl-[(4-methylcyclohexyl)methyl]amino]oxolane-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(4-tert-butylcyclohexyl)methyl-methylamino]oxolane-3-carboxylic acid
CID 104576053
4-[methyl(oxolan-3-ylmethyl)amino]oxolane-3-carboxylic acid
CID 66238015
4-[cyclopropylmethyl(propyl)amino]oxolane-3-carboxylic acid
CID 66253255
2-[cyclopropylmethyl(methyl)amino]-4-methylcyclohexane-1-carboxylic acid
CID 63068292
4-[methyl-[(4-methylcyclohexyl)methylcarbamoyl]amino]oxolane-3-carboxylic acid
CID 66265543
4-[methyl-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]amino]oxolane-3-carboxylic acid
CID 66237003
4-methyl-2-[methyl(oxan-4-ylmethyl)amino]cyclohexane-1-carboxylic acid
CID 63705687
4-[methyl-[(5-oxopyrrolidin-2-yl)methyl]amino]oxolane-3-carboxylic acid
CID 107530385
4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]oxolane-3-carboxylic acid
CID 79558147
4-[[2-(dimethylamino)-2-oxoethyl]-methylamino]oxolane-3-carboxylic acid
CID 66267848
4-[[cyclopropylmethyl(ethyl)carbamoyl]-propylamino]oxolane-3-carboxylic acid
CID 66253895
4-[methyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]oxolane-3-carboxylic acid
CID 102899237

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-[(4-methylcyclohexyl)methyl]amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[methyl-[(4-methylcyclohexyl)methyl]amino]oxolane-3-carboxylic acid (CID 66266491) is 4-[methyl-[(4-methylcyclohexyl)methyl]amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[methyl-[(4-methylcyclohexyl)methyl]amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[methyl-[(4-methylcyclohexyl)methyl]amino]oxolane-3-carboxylic acid is CC1CCC(CN(C)C2COCC2C(=O)O)CC1.
What is the InChIKey of 4-[methyl-[(4-methylcyclohexyl)methyl]amino]oxolane-3-carboxylic acid?
The InChIKey is DTSCANMDWVJAPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-10-3-5-11(6-4-10)7-15(2)13-9-18-8-12(13)14(16)17/h10-13H,3-9H2,1-2H3,(H,16,17).
What are the key properties of 4-[methyl-[(4-methylcyclohexyl)methyl]amino]oxolane-3-carboxylic acid?
4-[methyl-[(4-methylcyclohexyl)methyl]amino]oxolane-3-carboxylic acid has a molecular weight of 255.36 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-[(4-methylcyclohexyl)methyl]amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66266491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).