3-methyl-1-(4-methylpentan-2-yl)pyrrolidine-2-carboxylic acid

C12H23NO2 — CID 102787242

IUPAC3-methyl-1-(4-methylpentan-2-yl)pyrrolidine-2-carboxylic acid
SMILESCC(C)CC(C)N1CCC(C)C1C(=O)O
InChIInChI=1S/C12H23NO2/c1-8(2)7-10(4)13-6-5-9(3)11(13)12(14)15/h8-11H,5-7H2,1-4H3,(H,14,15)
InChIKeyBXYVTVJQYOYRGW-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.22
Rot. Bonds4

About 3-methyl-1-(4-methylpentan-2-yl)pyrrolidine-2-carboxylic acid

3-methyl-1-(4-methylpentan-2-yl)pyrrolidine-2-carboxylic acid (PubChem CID 102787242) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 3-methyl-1-(4-methylpentan-2-yl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-(4-methylpentan-2-yl)pyrrolidine-2-carboxylic acid
PubChem CID102787242
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name3-methyl-1-(4-methylpentan-2-yl)pyrrolidine-2-carboxylic acid
SMILESCC(C)CC(C)N1CCC(C)C1C(=O)O
InChIInChI=1S/C12H23NO2/c1-8(2)7-10(4)13-6-5-9(3)11(13)12(14)15/h8-11H,5-7H2,1-4H3,(H,14,15)
InChIKeyBXYVTVJQYOYRGW-UHFFFAOYSA-N
XLogP2.22
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-methyl-1-(4-methylpentan-2-yl)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

3-methyl-1-pentan-2-ylpyrrolidine-2-carboxylic acid
CID 102787447
1-(1-cyclobutylpropan-2-yl)-3-methylpyrrolidine-2-carboxylic acid
CID 102786655
2-methyl-1-(4-methylpentan-2-yl)pyrrolidine-3-carboxylic acid
CID 79383736
3-methyl-1-[1-(2-methylcyclopropyl)ethyl]pyrrolidine-2-carboxylic acid
CID 130646219
1-(1-cyclopentylethyl)-3-methylpyrrolidine-2-carboxylic acid
CID 102787164
1-butan-2-yl-3-hydroxypyrrolidine-2-carboxylic acid
CID 89128848
1-[1-(1-adamantyl)ethyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102786810
1-[cyclopropyl(2-methylpropyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102782243
3-methyl-1-(2-methylpropylsulfonyl)pyrrolidine-2-carboxylic acid
CID 104937349
3-methyl-1-[methyl-[2-(2-methylpropylamino)-2-oxoethyl]carbamoyl]pyrrolidine-2-carboxylic acid
CID 102783007
1-[1-(4-chlorophenyl)ethyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102786963
1-[1-(4-bromophenyl)ethyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102786474

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(4-methylpentan-2-yl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 3-methyl-1-(4-methylpentan-2-yl)pyrrolidine-2-carboxylic acid (CID 102787242) is 3-methyl-1-(4-methylpentan-2-yl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 3-methyl-1-(4-methylpentan-2-yl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 3-methyl-1-(4-methylpentan-2-yl)pyrrolidine-2-carboxylic acid is CC(C)CC(C)N1CCC(C)C1C(=O)O.
What is the InChIKey of 3-methyl-1-(4-methylpentan-2-yl)pyrrolidine-2-carboxylic acid?
The InChIKey is BXYVTVJQYOYRGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-8(2)7-10(4)13-6-5-9(3)11(13)12(14)15/h8-11H,5-7H2,1-4H3,(H,14,15).
What are the key properties of 3-methyl-1-(4-methylpentan-2-yl)pyrrolidine-2-carboxylic acid?
3-methyl-1-(4-methylpentan-2-yl)pyrrolidine-2-carboxylic acid has a molecular weight of 213.32 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(4-methylpentan-2-yl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 102787242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).