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

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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).