3-methyl-1-(3-propan-2-ylcyclobutyl)pyrrolidine-2-carboxylic acid

C13H23NO2 — CID 103565254

IUPAC3-methyl-1-(3-propan-2-ylcyclobutyl)pyrrolidine-2-carboxylic acid
SMILESCC(C)C1CC(N2CCC(C)C2C(=O)O)C1
InChIInChI=1S/C13H23NO2/c1-8(2)10-6-11(7-10)14-5-4-9(3)12(14)13(15)16/h8-12H,4-7H2,1-3H3,(H,15,16)
InChIKeyUSIHLWCZNKPUPZ-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.22
Rot. Bonds3

About 3-methyl-1-(3-propan-2-ylcyclobutyl)pyrrolidine-2-carboxylic acid

3-methyl-1-(3-propan-2-ylcyclobutyl)pyrrolidine-2-carboxylic acid (PubChem CID 103565254) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 3-methyl-1-(3-propan-2-ylcyclobutyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-(3-propan-2-ylcyclobutyl)pyrrolidine-2-carboxylic acid
PubChem CID103565254
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name3-methyl-1-(3-propan-2-ylcyclobutyl)pyrrolidine-2-carboxylic acid
SMILESCC(C)C1CC(N2CCC(C)C2C(=O)O)C1
InChIInChI=1S/C13H23NO2/c1-8(2)10-6-11(7-10)14-5-4-9(3)12(14)13(15)16/h8-12H,4-7H2,1-3H3,(H,15,16)
InChIKeyUSIHLWCZNKPUPZ-UHFFFAOYSA-N
XLogP2.22
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-methyl-1-(3-propan-2-ylcyclobutyl)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-(3-ethoxycyclobutyl)-3-methylpyrrolidine-2-carboxylic acid
CID 106824464
1-(4,4-dimethylcyclohexyl)-3-methylpyrrolidine-2-carboxylic acid
CID 102786617
3-methyl-1-(3,3,5,5-tetramethylcyclohexyl)pyrrolidine-2-carboxylic acid
CID 102786262
1-(4-methoxycyclohexyl)-3-methylpyrrolidine-2-carboxylic acid
CID 102787227
3-methyl-1-[1-(2-methylcyclopropyl)ethyl]pyrrolidine-2-carboxylic acid
CID 130646219
1-(3-methoxycyclohexyl)-3-methylpiperidine-2-carboxylic acid
CID 107072534
1-(1-cyclopentylethyl)-3-methylpyrrolidine-2-carboxylic acid
CID 102787164
3-methyl-1-(2-methylsulfonylpropanoyl)pyrrolidine-2-carboxylic acid
CID 102776307
1-(1-cyclobutylpropan-2-yl)-3-methylpyrrolidine-2-carboxylic acid
CID 102786655
1-(2-ethylcyclopentyl)-3-methylpyrrolidine-2-carboxylic acid
CID 102786918
1-cyclohex-2-en-1-yl-3-methylpyrrolidine-2-carboxylic acid
CID 102786013
3-methyl-1-(1-methyl-2,5-dioxopyrrolidin-3-yl)pyrrolidine-2-carboxylic acid
CID 102785778

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(3-propan-2-ylcyclobutyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 3-methyl-1-(3-propan-2-ylcyclobutyl)pyrrolidine-2-carboxylic acid (CID 103565254) is 3-methyl-1-(3-propan-2-ylcyclobutyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 3-methyl-1-(3-propan-2-ylcyclobutyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 3-methyl-1-(3-propan-2-ylcyclobutyl)pyrrolidine-2-carboxylic acid is CC(C)C1CC(N2CCC(C)C2C(=O)O)C1.
What is the InChIKey of 3-methyl-1-(3-propan-2-ylcyclobutyl)pyrrolidine-2-carboxylic acid?
The InChIKey is USIHLWCZNKPUPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-8(2)10-6-11(7-10)14-5-4-9(3)12(14)13(15)16/h8-12H,4-7H2,1-3H3,(H,15,16).
What are the key properties of 3-methyl-1-(3-propan-2-ylcyclobutyl)pyrrolidine-2-carboxylic acid?
3-methyl-1-(3-propan-2-ylcyclobutyl)pyrrolidine-2-carboxylic acid has a molecular weight of 225.33 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(3-propan-2-ylcyclobutyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 103565254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).