5,5-dimethylpyrrolidine-2-carboxylic acid

C7H13NO2 — CID 11789318

IUPAC5,5-dimethylpyrrolidine-2-carboxylic acid
SMILESCC1(C)CCC(C(=O)O)N1
InChIInChI=1S/C7H13NO2/c1-7(2)4-3-5(8-7)6(9)10/h5,8H,3-4H2,1-2H3,(H,9,10)
InChIKeyDEMIRSVUSWJCFT-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.60
Rot. Bonds1

About 5,5-dimethylpyrrolidine-2-carboxylic acid

5,5-dimethylpyrrolidine-2-carboxylic acid (PubChem CID 11789318) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 5,5-dimethylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name5,5-dimethylpyrrolidine-2-carboxylic acid
PubChem CID11789318
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name5,5-dimethylpyrrolidine-2-carboxylic acid
SMILESCC1(C)CCC(C(=O)O)N1
InChIInChI=1S/C7H13NO2/c1-7(2)4-3-5(8-7)6(9)10/h5,8H,3-4H2,1-2H3,(H,9,10)
InChIKeyDEMIRSVUSWJCFT-UHFFFAOYSA-N
XLogP0.60
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5,5-dimethylpyrrolidine-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

2-Methylpyrrolidine-2-carboxylic acid
CID 95491
4-Methylproline
CID 352051
2,5-Pyrrolidinedicarboxylic acid
CID 428912
2-Methyl-L-proline
CID 6993664
(1R,3S,5R)-2-azabicyclo[3.1.0]hexane-3-carboxylic acid
CID 11983697
(1S,3S,5S)-2-Azabicyclo(3.1.0)hexane-3-carboxylic acid
CID 16228670
(2s,4s)-4-Methylpyrrolidine-2-carboxylic acid
CID 13419855
(2R)-2-methylpyrrolidine-2-carboxylic acid
CID 14463985
(S)-2-methylpyrrolidine-2-carboxylic acid hydrochloride
CID 72207643
(2S,4S)-4-Methyl-pyrrolidine-2-carboxylic acid hydrochloride
CID 50998246
(2S,4R)-4-methylpyrrolidine-2-carboxylic acid hydrochloride
CID 66545227
(4R)-4-Methyl-L-proline
CID 13419856

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethylpyrrolidine-2-carboxylic acid?
The IUPAC name of 5,5-dimethylpyrrolidine-2-carboxylic acid (CID 11789318) is 5,5-dimethylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 5,5-dimethylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 5,5-dimethylpyrrolidine-2-carboxylic acid is CC1(C)CCC(C(=O)O)N1.
What is the InChIKey of 5,5-dimethylpyrrolidine-2-carboxylic acid?
The InChIKey is DEMIRSVUSWJCFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-7(2)4-3-5(8-7)6(9)10/h5,8H,3-4H2,1-2H3,(H,9,10).
What are the key properties of 5,5-dimethylpyrrolidine-2-carboxylic acid?
5,5-dimethylpyrrolidine-2-carboxylic acid has a molecular weight of 143.19 g/mol, XLogP of 0.60, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 11789318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).