1-[(3-methylcyclopentyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid

C13H22N2O3 — CID 107414526

IUPAC1-[(3-methylcyclopentyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
SMILESCC1CCC(CNC(=O)N2CCCC2C(=O)O)C1
InChIInChI=1S/C13H22N2O3/c1-9-4-5-10(7-9)8-14-13(18)15-6-2-3-11(15)12(16)17/h9-11H,2-8H2,1H3,(H,14,18)(H,16,17)
InChIKeyFGJPOVNTKNYFJD-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.68
Rot. Bonds3

About 1-[(3-methylcyclopentyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid

1-[(3-methylcyclopentyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid (PubChem CID 107414526) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-[(3-methylcyclopentyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(3-methylcyclopentyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
PubChem CID107414526
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name1-[(3-methylcyclopentyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
SMILESCC1CCC(CNC(=O)N2CCCC2C(=O)O)C1
InChIInChI=1S/C13H22N2O3/c1-9-4-5-10(7-9)8-14-13(18)15-6-2-3-11(15)12(16)17/h9-11H,2-8H2,1H3,(H,14,18)(H,16,17)
InChIKeyFGJPOVNTKNYFJD-UHFFFAOYSA-N
XLogP1.68
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylcyclopentyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[(3-methylcyclopentyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid (CID 107414526) is 1-[(3-methylcyclopentyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[(3-methylcyclopentyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[(3-methylcyclopentyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid is CC1CCC(CNC(=O)N2CCCC2C(=O)O)C1.
What is the InChIKey of 1-[(3-methylcyclopentyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is FGJPOVNTKNYFJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-9-4-5-10(7-9)8-14-13(18)15-6-2-3-11(15)12(16)17/h9-11H,2-8H2,1H3,(H,14,18)(H,16,17).
What are the key properties of 1-[(3-methylcyclopentyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid?
1-[(3-methylcyclopentyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 254.33 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylcyclopentyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 107414526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).