1-(4-propan-2-ylcyclohexyl)pyrrolidine-2-carboxylic acid

C14H25NO2 — CID 65056479

IUPAC1-(4-propan-2-ylcyclohexyl)pyrrolidine-2-carboxylic acid
SMILESCC(C)C1CCC(N2CCCC2C(=O)O)CC1
InChIInChI=1S/C14H25NO2/c1-10(2)11-5-7-12(8-6-11)15-9-3-4-13(15)14(16)17/h10-13H,3-9H2,1-2H3,(H,16,17)
InChIKeyUUIPQKQQGQZSPZ-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.75
Rot. Bonds3

About 1-(4-propan-2-ylcyclohexyl)pyrrolidine-2-carboxylic acid

1-(4-propan-2-ylcyclohexyl)pyrrolidine-2-carboxylic acid (PubChem CID 65056479) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 1-(4-propan-2-ylcyclohexyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(4-propan-2-ylcyclohexyl)pyrrolidine-2-carboxylic acid
PubChem CID65056479
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name1-(4-propan-2-ylcyclohexyl)pyrrolidine-2-carboxylic acid
SMILESCC(C)C1CCC(N2CCCC2C(=O)O)CC1
InChIInChI=1S/C14H25NO2/c1-10(2)11-5-7-12(8-6-11)15-9-3-4-13(15)14(16)17/h10-13H,3-9H2,1-2H3,(H,16,17)
InChIKeyUUIPQKQQGQZSPZ-UHFFFAOYSA-N
XLogP2.75
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-propan-2-ylcyclohexyl)pyrrolidine-2-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

1-(4-propan-2-ylcycloheptyl)azepane-2-carboxylic acid
CID 65090849
2,3,5,6,7,8-hexahydro-1H-pyrrolizine-3-carboxylic acid
CID 19990612
2,3,5,6,7,8-hexahydro-1H-pyrrolizine-3-carboxylic acid;hydrochloride
CID 67945691
(2S)-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxylic acid
CID 51892046
(2S)-1-cyclohexylpyrrolidine-2-carboxylic acid;hydrochloride
CID 141195485
1-[1-(2-methylpropyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid
CID 61020449
(2S)-1-(4,4-dimethylcyclohexyl)pyrrolidine-2-carboxylic acid
CID 110838436
1-[1-(1-amino-1-oxopropan-2-yl)piperidin-4-yl]pyrrolidine-2-carboxylic acid
CID 54907006
1-(1-methylazepan-4-yl)pyrrolidine-2-carboxylic acid
CID 65073070
1-[1-(dimethylcarbamoyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid
CID 61195156
1-(3-methylcyclobutyl)pyrrolidine-2-carboxylic acid
CID 103565045
(2R)-1-(oxan-4-yl)pyrrolidine-2-carboxylic acid
CID 51980114

Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-ylcyclohexyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(4-propan-2-ylcyclohexyl)pyrrolidine-2-carboxylic acid (CID 65056479) is 1-(4-propan-2-ylcyclohexyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(4-propan-2-ylcyclohexyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(4-propan-2-ylcyclohexyl)pyrrolidine-2-carboxylic acid is CC(C)C1CCC(N2CCCC2C(=O)O)CC1.
What is the InChIKey of 1-(4-propan-2-ylcyclohexyl)pyrrolidine-2-carboxylic acid?
The InChIKey is UUIPQKQQGQZSPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-10(2)11-5-7-12(8-6-11)15-9-3-4-13(15)14(16)17/h10-13H,3-9H2,1-2H3,(H,16,17).
What are the key properties of 1-(4-propan-2-ylcyclohexyl)pyrrolidine-2-carboxylic acid?
1-(4-propan-2-ylcyclohexyl)pyrrolidine-2-carboxylic acid has a molecular weight of 239.36 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propan-2-ylcyclohexyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 65056479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).