2-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]-1-methylcyclopentane-1-carboxylic acid

C13H19F3N2O3 — CID 82764908

IUPAC2-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]-1-methylcyclopentane-1-carboxylic acid
SMILESCC1(C(=O)O)CCCC1NC(=O)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C13H19F3N2O3/c1-12(10(19)20)6-2-3-9(12)17-11(21)18(8-4-5-8)7-13(14,15)16/h8-9H,2-7H2,1H3,(H,17,21)(H,19,20)
InChIKeyMBMPYFAAGIIVTL-UHFFFAOYSA-N
MW308.30 g/mol
LogP2.37
Rot. Bonds4

About 2-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]-1-methylcyclopentane-1-carboxylic acid

2-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]-1-methylcyclopentane-1-carboxylic acid (PubChem CID 82764908) has the molecular formula C13H19F3N2O3 and a molecular weight of 308.30 g/mol. Its IUPAC name is 2-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]-1-methylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]-1-methylcyclopentane-1-carboxylic acid
PubChem CID82764908
Molecular FormulaC13H19F3N2O3
Molecular Weight308.30 g/mol
Exact Mass308.13
IUPAC Name2-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]-1-methylcyclopentane-1-carboxylic acid
SMILESCC1(C(=O)O)CCCC1NC(=O)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C13H19F3N2O3/c1-12(10(19)20)6-2-3-9(12)17-11(21)18(8-4-5-8)7-13(14,15)16/h8-9H,2-7H2,1H3,(H,17,21)(H,19,20)
InChIKeyMBMPYFAAGIIVTL-UHFFFAOYSA-N
XLogP2.37
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.30
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]-1-methylcyclopentane-1-carboxylic acid?
The IUPAC name of 2-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]-1-methylcyclopentane-1-carboxylic acid (CID 82764908) is 2-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]-1-methylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]-1-methylcyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]-1-methylcyclopentane-1-carboxylic acid is CC1(C(=O)O)CCCC1NC(=O)N(CC(F)(F)F)C1CC1.
What is the InChIKey of 2-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]-1-methylcyclopentane-1-carboxylic acid?
The InChIKey is MBMPYFAAGIIVTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2O3/c1-12(10(19)20)6-2-3-9(12)17-11(21)18(8-4-5-8)7-13(14,15)16/h8-9H,2-7H2,1H3,(H,17,21)(H,19,20).
What are the key properties of 2-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]-1-methylcyclopentane-1-carboxylic acid?
2-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]-1-methylcyclopentane-1-carboxylic acid has a molecular weight of 308.30 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]-1-methylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 82764908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).