1-(cyclobutylmethylcarbamoyl)-3-methylpyrrolidine-2-carboxylic acid

C12H20N2O3 — CID 102781779

IUPAC1-(cyclobutylmethylcarbamoyl)-3-methylpyrrolidine-2-carboxylic acid
SMILESCC1CCN(C(=O)NCC2CCC2)C1C(=O)O
InChIInChI=1S/C12H20N2O3/c1-8-5-6-14(10(8)11(15)16)12(17)13-7-9-3-2-4-9/h8-10H,2-7H2,1H3,(H,13,17)(H,15,16)
InChIKeyJBDVRVWJJJEQHR-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.29
Rot. Bonds3

About 1-(cyclobutylmethylcarbamoyl)-3-methylpyrrolidine-2-carboxylic acid

1-(cyclobutylmethylcarbamoyl)-3-methylpyrrolidine-2-carboxylic acid (PubChem CID 102781779) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 1-(cyclobutylmethylcarbamoyl)-3-methylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(cyclobutylmethylcarbamoyl)-3-methylpyrrolidine-2-carboxylic acid
PubChem CID102781779
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name1-(cyclobutylmethylcarbamoyl)-3-methylpyrrolidine-2-carboxylic acid
SMILESCC1CCN(C(=O)NCC2CCC2)C1C(=O)O
InChIInChI=1S/C12H20N2O3/c1-8-5-6-14(10(8)11(15)16)12(17)13-7-9-3-2-4-9/h8-10H,2-7H2,1H3,(H,13,17)(H,15,16)
InChIKeyJBDVRVWJJJEQHR-UHFFFAOYSA-N
XLogP1.29
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(cyclobutylmethylcarbamoyl)-3-methylpyrrolidine-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

3-methyl-1-[(2-methylcyclohexyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 102782299
3-methyl-1-[(2-methylcyclopentyl)methylcarbamoyl]piperidine-2-carboxylic acid
CID 107419814
3-methyl-1-(oxolan-3-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 102782536
3-methyl-1-[(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 102782998
1-[(1-ethylpyrrolidin-3-yl)methylcarbamoyl]-3-methylpiperidine-2-carboxylic acid
CID 107071372
3-methyl-1-[(2-oxo-2-piperidin-1-ylethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 102782999
1-[(2-ethoxy-2-oxoethyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102781899
1-(1,4-dioxan-2-ylmethylcarbamoyl)-3-methylpyrrolidine-2-carboxylic acid
CID 102781928
3-methyl-1-[2-[methyl(propan-2-yl)amino]ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 102782518
1-[(1-ethylcyclobutyl)methylcarbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 114108811
3-methyl-1-(thiolan-2-ylmethylcarbamoyl)piperidine-2-carboxylic acid
CID 107071782
3-methyl-1-[2-(2-methylprop-2-enoxy)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 102783102

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethylcarbamoyl)-3-methylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(cyclobutylmethylcarbamoyl)-3-methylpyrrolidine-2-carboxylic acid (CID 102781779) is 1-(cyclobutylmethylcarbamoyl)-3-methylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(cyclobutylmethylcarbamoyl)-3-methylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(cyclobutylmethylcarbamoyl)-3-methylpyrrolidine-2-carboxylic acid is CC1CCN(C(=O)NCC2CCC2)C1C(=O)O.
What is the InChIKey of 1-(cyclobutylmethylcarbamoyl)-3-methylpyrrolidine-2-carboxylic acid?
The InChIKey is JBDVRVWJJJEQHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-8-5-6-14(10(8)11(15)16)12(17)13-7-9-3-2-4-9/h8-10H,2-7H2,1H3,(H,13,17)(H,15,16).
What are the key properties of 1-(cyclobutylmethylcarbamoyl)-3-methylpyrrolidine-2-carboxylic acid?
1-(cyclobutylmethylcarbamoyl)-3-methylpyrrolidine-2-carboxylic acid has a molecular weight of 240.30 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethylcarbamoyl)-3-methylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 102781779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).