4-carbamoylpyrrolidine-2-carboxylic acid

C6H10N2O3 — CID 19905128

IUPAC4-carbamoylpyrrolidine-2-carboxylic acid
SMILESNC(=O)C1CNC(C(=O)O)C1
InChIInChI=1S/C6H10N2O3/c7-5(9)3-1-4(6(10)11)8-2-3/h3-4,8H,1-2H2,(H2,7,9)(H,10,11)
InChIKeyAZOYBNGZBDETHT-UHFFFAOYSA-N
MW158.16 g/mol
LogP-1.47
Rot. Bonds2

About 4-carbamoylpyrrolidine-2-carboxylic acid

4-carbamoylpyrrolidine-2-carboxylic acid (PubChem CID 19905128) has the molecular formula C6H10N2O3 and a molecular weight of 158.16 g/mol. Its IUPAC name is 4-carbamoylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name4-carbamoylpyrrolidine-2-carboxylic acid
PubChem CID19905128
Molecular FormulaC6H10N2O3
Molecular Weight158.16 g/mol
Exact Mass158.07
IUPAC Name4-carbamoylpyrrolidine-2-carboxylic acid
SMILESNC(=O)C1CNC(C(=O)O)C1
InChIInChI=1S/C6H10N2O3/c7-5(9)3-1-4(6(10)11)8-2-3/h3-4,8H,1-2H2,(H2,7,9)(H,10,11)
InChIKeyAZOYBNGZBDETHT-UHFFFAOYSA-N
XLogP-1.47
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.16
LogP ≤ 5-1.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-carbamoylpyrrolidine-2-carboxylic acid?
The IUPAC name of 4-carbamoylpyrrolidine-2-carboxylic acid (CID 19905128) is 4-carbamoylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 4-carbamoylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 4-carbamoylpyrrolidine-2-carboxylic acid is NC(=O)C1CNC(C(=O)O)C1.
What is the InChIKey of 4-carbamoylpyrrolidine-2-carboxylic acid?
The InChIKey is AZOYBNGZBDETHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O3/c7-5(9)3-1-4(6(10)11)8-2-3/h3-4,8H,1-2H2,(H2,7,9)(H,10,11).
What are the key properties of 4-carbamoylpyrrolidine-2-carboxylic acid?
4-carbamoylpyrrolidine-2-carboxylic acid has a molecular weight of 158.16 g/mol, XLogP of -1.47, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-carbamoylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 19905128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).