2,3-dimethyl-1-pyrrolidin-1-ylcyclohexane-1-carboxylic acid

C13H23NO2 — CID 64756445

IUPAC2,3-dimethyl-1-pyrrolidin-1-ylcyclohexane-1-carboxylic acid
SMILESCC1CCCC(C(=O)O)(N2CCCC2)C1C
InChIInChI=1S/C13H23NO2/c1-10-6-5-7-13(11(10)2,12(15)16)14-8-3-4-9-14/h10-11H,3-9H2,1-2H3,(H,15,16)
InChIKeyOFQWXQZAKAJRSX-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.36
Rot. Bonds2

About 2,3-dimethyl-1-pyrrolidin-1-ylcyclohexane-1-carboxylic acid

2,3-dimethyl-1-pyrrolidin-1-ylcyclohexane-1-carboxylic acid (PubChem CID 64756445) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 2,3-dimethyl-1-pyrrolidin-1-ylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2,3-dimethyl-1-pyrrolidin-1-ylcyclohexane-1-carboxylic acid
PubChem CID64756445
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name2,3-dimethyl-1-pyrrolidin-1-ylcyclohexane-1-carboxylic acid
SMILESCC1CCCC(C(=O)O)(N2CCCC2)C1C
InChIInChI=1S/C13H23NO2/c1-10-6-5-7-13(11(10)2,12(15)16)14-8-3-4-9-14/h10-11H,3-9H2,1-2H3,(H,15,16)
InChIKeyOFQWXQZAKAJRSX-UHFFFAOYSA-N
XLogP2.36
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dimethyl-1-(4-methylpiperazin-1-yl)cyclohexane-1-carboxylic acid
CID 65420326
2-tert-butyl-1-pyrrolidin-1-ylcyclohexane-1-carboxylic acid
CID 43803402
2,4,4-trimethyl-1-pyrrolidin-1-ylcyclohexane-1-carboxylic acid
CID 81314459
1-(1,4-diazepan-1-yl)-2-methylcyclohexane-1-carboxylic acid
CID 54890527
3-ethyl-4-pyrrolidin-1-ylpiperidine-4-carboxylic acid
CID 114510526
1-[acetyl(ethyl)amino]-2,3-dimethylcyclohexane-1-carboxylic acid
CID 64755378
2-methyl-3-(4-methylpiperazin-1-yl)thiane-3-carboxylic acid
CID 79952364
cyclohexyl-(1-hydroxy-2,3-dimethylcyclohexyl)methanone
CID 175856692
methyl 1-amino-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate
CID 105441160
ethyl 2-methyl-1-piperidin-1-ylcyclohexane-1-carboxylate;hydrochloride
CID 117066918
2-azatricyclo[6.3.0.02,5]undecane-1-carboxylic acid
CID 70410520
2-[2,3-dimethyl-1-(methylamino)cyclohexyl]acetic acid
CID 65236824

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-pyrrolidin-1-ylcyclohexane-1-carboxylic acid?
The IUPAC name of 2,3-dimethyl-1-pyrrolidin-1-ylcyclohexane-1-carboxylic acid (CID 64756445) is 2,3-dimethyl-1-pyrrolidin-1-ylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 2,3-dimethyl-1-pyrrolidin-1-ylcyclohexane-1-carboxylic acid?
The canonical SMILES for 2,3-dimethyl-1-pyrrolidin-1-ylcyclohexane-1-carboxylic acid is CC1CCCC(C(=O)O)(N2CCCC2)C1C.
What is the InChIKey of 2,3-dimethyl-1-pyrrolidin-1-ylcyclohexane-1-carboxylic acid?
The InChIKey is OFQWXQZAKAJRSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-10-6-5-7-13(11(10)2,12(15)16)14-8-3-4-9-14/h10-11H,3-9H2,1-2H3,(H,15,16).
What are the key properties of 2,3-dimethyl-1-pyrrolidin-1-ylcyclohexane-1-carboxylic acid?
2,3-dimethyl-1-pyrrolidin-1-ylcyclohexane-1-carboxylic acid has a molecular weight of 225.33 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1-pyrrolidin-1-ylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 64756445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).