3-methyl-1-(2-methylpropanoyl)pyrrolidine-3-carboxylic acid

C10H17NO3 — CID 63142722

IUPAC3-methyl-1-(2-methylpropanoyl)pyrrolidine-3-carboxylic acid
SMILESCC(C)C(=O)N1CCC(C)(C(=O)O)C1
InChIInChI=1S/C10H17NO3/c1-7(2)8(12)11-5-4-10(3,6-11)9(13)14/h7H,4-6H2,1-3H3,(H,13,14)
InChIKeyBJFPKUYSGZSBRE-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.97
Rot. Bonds2

About 3-methyl-1-(2-methylpropanoyl)pyrrolidine-3-carboxylic acid

3-methyl-1-(2-methylpropanoyl)pyrrolidine-3-carboxylic acid (PubChem CID 63142722) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 3-methyl-1-(2-methylpropanoyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-(2-methylpropanoyl)pyrrolidine-3-carboxylic acid
PubChem CID63142722
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name3-methyl-1-(2-methylpropanoyl)pyrrolidine-3-carboxylic acid
SMILESCC(C)C(=O)N1CCC(C)(C(=O)O)C1
InChIInChI=1S/C10H17NO3/c1-7(2)8(12)11-5-4-10(3,6-11)9(13)14/h7H,4-6H2,1-3H3,(H,13,14)
InChIKeyBJFPKUYSGZSBRE-UHFFFAOYSA-N
XLogP0.97
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-methyl-1-(2-methylpropanoyl)pyrrolidine-3-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-methylpyrrolidine-1,3-dicarboxylic acid
CID 23111893
1-(2-amino-4-methylpentanoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63144084
1-(2-ethoxypropanoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 119256934
1-(3,3-dimethylpyrrolidin-1-yl)-2-methylpropan-1-one;ethane
CID 177053716
1-(2-ethylhexanoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63146734
1-(3-cyclopentyl-2-methylpropanoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 119256212
(3R)-1-(2,2-diphenylacetyl)-3-methylpyrrolidine-3-carboxylic acid
CID 124695120
1-(2,2-diphenylacetyl)-3-methylpyrrolidine-3-carboxylic acid
CID 119256443
2-methyl-1-[(3S)-3-methyl-3-propan-2-ylpyrrolidin-1-yl]propan-1-one
CID 118444436
1-[2-(cyclopentanecarbonylamino)propanoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119257319
1-[2-(4-methoxyphenoxy)propanoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119257095
1-(but-3-yn-2-ylcarbamoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 114418629

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-methylpropanoyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-methyl-1-(2-methylpropanoyl)pyrrolidine-3-carboxylic acid (CID 63142722) is 3-methyl-1-(2-methylpropanoyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-methyl-1-(2-methylpropanoyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-methyl-1-(2-methylpropanoyl)pyrrolidine-3-carboxylic acid is CC(C)C(=O)N1CCC(C)(C(=O)O)C1.
What is the InChIKey of 3-methyl-1-(2-methylpropanoyl)pyrrolidine-3-carboxylic acid?
The InChIKey is BJFPKUYSGZSBRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-7(2)8(12)11-5-4-10(3,6-11)9(13)14/h7H,4-6H2,1-3H3,(H,13,14).
What are the key properties of 3-methyl-1-(2-methylpropanoyl)pyrrolidine-3-carboxylic acid?
3-methyl-1-(2-methylpropanoyl)pyrrolidine-3-carboxylic acid has a molecular weight of 199.25 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-methylpropanoyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63142722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).