1-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid

C10H15F3N2O3 — CID 61205693

IUPAC1-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
SMILESCN(CC(F)(F)F)C(=O)NC1(C(=O)O)CCCC1
InChIInChI=1S/C10H15F3N2O3/c1-15(6-10(11,12)13)8(18)14-9(7(16)17)4-2-3-5-9/h2-6H2,1H3,(H,14,18)(H,16,17)
InChIKeyDYTPZYMMYJHHAK-UHFFFAOYSA-N
MW268.23 g/mol
LogP1.59
Rot. Bonds3

About 1-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid

1-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 61205693) has the molecular formula C10H15F3N2O3 and a molecular weight of 268.23 g/mol. Its IUPAC name is 1-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
PubChem CID61205693
Molecular FormulaC10H15F3N2O3
Molecular Weight268.23 g/mol
Exact Mass268.10
IUPAC Name1-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
SMILESCN(CC(F)(F)F)C(=O)NC1(C(=O)O)CCCC1
InChIInChI=1S/C10H15F3N2O3/c1-15(6-10(11,12)13)8(18)14-9(7(16)17)4-2-3-5-9/h2-6H2,1H3,(H,14,18)(H,16,17)
InChIKeyDYTPZYMMYJHHAK-UHFFFAOYSA-N
XLogP1.59
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.23
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid (CID 61205693) is 1-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid is CN(CC(F)(F)F)C(=O)NC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is DYTPZYMMYJHHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O3/c1-15(6-10(11,12)13)8(18)14-9(7(16)17)4-2-3-5-9/h2-6H2,1H3,(H,14,18)(H,16,17).
What are the key properties of 1-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid?
1-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 268.23 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 61205693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).