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

C12H19F3N2O3 — CID 82762288

IUPAC2-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-1-methylcyclopentane-1-carboxylic acid
SMILESCCN(CC(F)(F)F)C(=O)NC1CCCC1(C)C(=O)O
InChIInChI=1S/C12H19F3N2O3/c1-3-17(7-12(13,14)15)10(20)16-8-5-4-6-11(8,2)9(18)19/h8H,3-7H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyWUCKGWYGMHBQPD-UHFFFAOYSA-N
MW296.29 g/mol
LogP2.22
Rot. Bonds4

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

2-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-1-methylcyclopentane-1-carboxylic acid (PubChem CID 82762288) has the molecular formula C12H19F3N2O3 and a molecular weight of 296.29 g/mol. Its IUPAC name is 2-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-1-methylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-1-methylcyclopentane-1-carboxylic acid
PubChem CID82762288
Molecular FormulaC12H19F3N2O3
Molecular Weight296.29 g/mol
Exact Mass296.13
IUPAC Name2-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-1-methylcyclopentane-1-carboxylic acid
SMILESCCN(CC(F)(F)F)C(=O)NC1CCCC1(C)C(=O)O
InChIInChI=1S/C12H19F3N2O3/c1-3-17(7-12(13,14)15)10(20)16-8-5-4-6-11(8,2)9(18)19/h8H,3-7H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyWUCKGWYGMHBQPD-UHFFFAOYSA-N
XLogP2.22
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-1-methylcyclopentane-1-carboxylic acid?
The IUPAC name of 2-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-1-methylcyclopentane-1-carboxylic acid (CID 82762288) is 2-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-1-methylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-1-methylcyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-1-methylcyclopentane-1-carboxylic acid is CCN(CC(F)(F)F)C(=O)NC1CCCC1(C)C(=O)O.
What is the InChIKey of 2-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-1-methylcyclopentane-1-carboxylic acid?
The InChIKey is WUCKGWYGMHBQPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O3/c1-3-17(7-12(13,14)15)10(20)16-8-5-4-6-11(8,2)9(18)19/h8H,3-7H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 2-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-1-methylcyclopentane-1-carboxylic acid?
2-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-1-methylcyclopentane-1-carboxylic acid has a molecular weight of 296.29 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-1-methylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 82762288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).