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

C13H19F3N2O3 — CID 63708205

IUPAC1-[(2-methylcyclopentyl)carbamoyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
SMILESCC1CCCC1NC(=O)N1CCC(C(=O)O)(C(F)(F)F)C1
InChIInChI=1S/C13H19F3N2O3/c1-8-3-2-4-9(8)17-11(21)18-6-5-12(7-18,10(19)20)13(14,15)16/h8-9H,2-7H2,1H3,(H,17,21)(H,19,20)
InChIKeySQMUIUOGBXTAFE-UHFFFAOYSA-N
MW308.30 g/mol
LogP2.22
Rot. Bonds2

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

1-[(2-methylcyclopentyl)carbamoyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid (PubChem CID 63708205) has the molecular formula C13H19F3N2O3 and a molecular weight of 308.30 g/mol. Its IUPAC name is 1-[(2-methylcyclopentyl)carbamoyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(2-methylcyclopentyl)carbamoyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
PubChem CID63708205
Molecular FormulaC13H19F3N2O3
Molecular Weight308.30 g/mol
Exact Mass308.13
IUPAC Name1-[(2-methylcyclopentyl)carbamoyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
SMILESCC1CCCC1NC(=O)N1CCC(C(=O)O)(C(F)(F)F)C1
InChIInChI=1S/C13H19F3N2O3/c1-8-3-2-4-9(8)17-11(21)18-6-5-12(7-18,10(19)20)13(14,15)16/h8-9H,2-7H2,1H3,(H,17,21)(H,19,20)
InChIKeySQMUIUOGBXTAFE-UHFFFAOYSA-N
XLogP2.22
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.30
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylcyclopentyl)carbamoyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[(2-methylcyclopentyl)carbamoyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid (CID 63708205) is 1-[(2-methylcyclopentyl)carbamoyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[(2-methylcyclopentyl)carbamoyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[(2-methylcyclopentyl)carbamoyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid is CC1CCCC1NC(=O)N1CCC(C(=O)O)(C(F)(F)F)C1.
What is the InChIKey of 1-[(2-methylcyclopentyl)carbamoyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The InChIKey is SQMUIUOGBXTAFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2O3/c1-8-3-2-4-9(8)17-11(21)18-6-5-12(7-18,10(19)20)13(14,15)16/h8-9H,2-7H2,1H3,(H,17,21)(H,19,20).
What are the key properties of 1-[(2-methylcyclopentyl)carbamoyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
1-[(2-methylcyclopentyl)carbamoyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid has a molecular weight of 308.30 g/mol, XLogP of 2.22, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylcyclopentyl)carbamoyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63708205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).