1-(4,4-dimethylcyclohexyl)-4-methylpyrrolidine-3-carboxylic acid

C14H25NO2 — CID 65065747

IUPAC1-(4,4-dimethylcyclohexyl)-4-methylpyrrolidine-3-carboxylic acid
SMILESCC1CN(C2CCC(C)(C)CC2)CC1C(=O)O
InChIInChI=1S/C14H25NO2/c1-10-8-15(9-12(10)13(16)17)11-4-6-14(2,3)7-5-11/h10-12H,4-9H2,1-3H3,(H,16,17)
InChIKeyJHIYLLXBZRLPQW-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.61
Rot. Bonds2

About 1-(4,4-dimethylcyclohexyl)-4-methylpyrrolidine-3-carboxylic acid

1-(4,4-dimethylcyclohexyl)-4-methylpyrrolidine-3-carboxylic acid (PubChem CID 65065747) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 1-(4,4-dimethylcyclohexyl)-4-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(4,4-dimethylcyclohexyl)-4-methylpyrrolidine-3-carboxylic acid
PubChem CID65065747
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name1-(4,4-dimethylcyclohexyl)-4-methylpyrrolidine-3-carboxylic acid
SMILESCC1CN(C2CCC(C)(C)CC2)CC1C(=O)O
InChIInChI=1S/C14H25NO2/c1-10-8-15(9-12(10)13(16)17)11-4-6-14(2,3)7-5-11/h10-12H,4-9H2,1-3H3,(H,16,17)
InChIKeyJHIYLLXBZRLPQW-UHFFFAOYSA-N
XLogP2.61
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethylcyclohexyl)-4-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(4,4-dimethylcyclohexyl)-4-methylpyrrolidine-3-carboxylic acid (CID 65065747) is 1-(4,4-dimethylcyclohexyl)-4-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(4,4-dimethylcyclohexyl)-4-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(4,4-dimethylcyclohexyl)-4-methylpyrrolidine-3-carboxylic acid is CC1CN(C2CCC(C)(C)CC2)CC1C(=O)O.
What is the InChIKey of 1-(4,4-dimethylcyclohexyl)-4-methylpyrrolidine-3-carboxylic acid?
The InChIKey is JHIYLLXBZRLPQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-10-8-15(9-12(10)13(16)17)11-4-6-14(2,3)7-5-11/h10-12H,4-9H2,1-3H3,(H,16,17).
What are the key properties of 1-(4,4-dimethylcyclohexyl)-4-methylpyrrolidine-3-carboxylic acid?
1-(4,4-dimethylcyclohexyl)-4-methylpyrrolidine-3-carboxylic acid has a molecular weight of 239.36 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethylcyclohexyl)-4-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 65065747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).