2-(dimethylcarbamoyl)pyrrolidine-1-carboxylic acid

C8H14N2O3 — CID 89401620

IUPAC2-(dimethylcarbamoyl)pyrrolidine-1-carboxylic acid
SMILESCN(C)C(=O)C1CCCN1C(=O)O
InChIInChI=1S/C8H14N2O3/c1-9(2)7(11)6-4-3-5-10(6)8(12)13/h6H,3-5H2,1-2H3,(H,12,13)
InChIKeyDJQAOMOWZLPPHW-UHFFFAOYSA-N
MW186.21 g/mol
LogP0.22
Rot. Bonds1

About 2-(dimethylcarbamoyl)pyrrolidine-1-carboxylic acid

2-(dimethylcarbamoyl)pyrrolidine-1-carboxylic acid (PubChem CID 89401620) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is 2-(dimethylcarbamoyl)pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name2-(dimethylcarbamoyl)pyrrolidine-1-carboxylic acid
PubChem CID89401620
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Name2-(dimethylcarbamoyl)pyrrolidine-1-carboxylic acid
SMILESCN(C)C(=O)C1CCCN1C(=O)O
InChIInChI=1S/C8H14N2O3/c1-9(2)7(11)6-4-3-5-10(6)8(12)13/h6H,3-5H2,1-2H3,(H,12,13)
InChIKeyDJQAOMOWZLPPHW-UHFFFAOYSA-N
XLogP0.22
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(dimethylcarbamoyl)pyrrolidine-1-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-(cyclopropanecarbonyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 60717815
4-[2-(dimethylcarbamoyl)pyrrolidin-1-yl]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76991376
1-(2,2-dimethylpropanoyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 60858063
(2S)-1-[(2S)-1-[(2S)-1-acetylpyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 101411336
ethyl 2-(dimethylcarbamoyl)pyrrolidine-1-carboxylate
CID 60700666
1-[(2R)-2-aminopropanoyl]-N,N-dimethylpyrrolidine-2-carboxamide;hydrochloride
CID 119275596
(2R,5S)-5-[2-(dimethylcarbamoyl)pyrrolidine-1-carbonyl]oxolane-2-carboxylic acid
CID 102944442
(2S)-1-(cyclopropylcarbamothioyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 92534826
N,N-dimethyl-1-(pyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide
CID 43579479
2-prop-2-enoylpyrrolidine-1-carboxylic acid
CID 69463823
4-[2-(dimethylcarbamoyl)pyrrolidin-1-yl]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
CID 43578415
1-[2-(azetidin-3-yl)propanoyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 116674954

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylcarbamoyl)pyrrolidine-1-carboxylic acid?
The IUPAC name of 2-(dimethylcarbamoyl)pyrrolidine-1-carboxylic acid (CID 89401620) is 2-(dimethylcarbamoyl)pyrrolidine-1-carboxylic acid.
What is the SMILES notation for 2-(dimethylcarbamoyl)pyrrolidine-1-carboxylic acid?
The canonical SMILES for 2-(dimethylcarbamoyl)pyrrolidine-1-carboxylic acid is CN(C)C(=O)C1CCCN1C(=O)O.
What is the InChIKey of 2-(dimethylcarbamoyl)pyrrolidine-1-carboxylic acid?
The InChIKey is DJQAOMOWZLPPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3/c1-9(2)7(11)6-4-3-5-10(6)8(12)13/h6H,3-5H2,1-2H3,(H,12,13).
What are the key properties of 2-(dimethylcarbamoyl)pyrrolidine-1-carboxylic acid?
2-(dimethylcarbamoyl)pyrrolidine-1-carboxylic acid has a molecular weight of 186.21 g/mol, XLogP of 0.22, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylcarbamoyl)pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 89401620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).