cis-(1R,3S)-3-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid

C11H17F3N2O3 — CID 106319562

IUPACcis-(1R,3S)-3-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
SMILESCCN(CC(F)(F)F)C(=O)N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C11H17F3N2O3/c1-2-16(6-11(12,13)14)10(19)15-8-4-3-7(5-8)9(17)18/h7-8H,2-6H2,1H3,(H,15,19)(H,17,18)/t7-,8+/m1/s1
InChIKeyZYHDKUSXPQSGBW-SFYZADRCSA-N
MW282.26 g/mol
LogP1.83
Rot. Bonds4

About cis-(1R,3S)-3-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 106319562) has the molecular formula C11H17F3N2O3 and a molecular weight of 282.26 g/mol. Its IUPAC name is cis-(1R,3S)-3-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
PubChem CID106319562
Molecular FormulaC11H17F3N2O3
Molecular Weight282.26 g/mol
Exact Mass282.12
IUPAC Namecis-(1R,3S)-3-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
SMILESCCN(CC(F)(F)F)C(=O)N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C11H17F3N2O3/c1-2-16(6-11(12,13)14)10(19)15-8-4-3-7(5-8)9(17)18/h7-8H,2-6H2,1H3,(H,15,19)(H,17,18)/t7-,8+/m1/s1
InChIKeyZYHDKUSXPQSGBW-SFYZADRCSA-N
XLogP1.83
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze cis-(1R,3S)-3-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Methyl 3-(2,2-difluoroethylcarbamoylamino)cyclopentane-1-carboxylate
CID 91652694
3-(Acetamidomethyl)-4-aminocyclopentane-1-carboxylic acid;2,2,2-trifluoroacetic acid
CID 157694372
(1S,3S,4S)-3-acetamido-4-fluorocyclopentane-1-carboxylic acid
CID 170330280
rac-(1R,3S)-3-(trifluoroacetamido)cyclopentane-1-carboxylic acid
CID 11107015
4-[[Methyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 61204394
4-[[Ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 61606968
4-[[Propyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 61607358
4-[[Propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 61607664
6-[[Cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]-4-methylhexanoic acid
CID 64364616
4-Methyl-6-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]hexanoic acid
CID 64364618
2-[[Ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 64816738
2-[[Propyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 64817325

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid (CID 106319562) is cis-(1R,3S)-3-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid is CCN(CC(F)(F)F)C(=O)N[C@H]1CC[C@@H](C(=O)O)C1.
What is the InChIKey of cis-(1R,3S)-3-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is ZYHDKUSXPQSGBW-SFYZADRCSA-N. The full InChI is InChI=1S/C11H17F3N2O3/c1-2-16(6-11(12,13)14)10(19)15-8-4-3-7(5-8)9(17)18/h7-8H,2-6H2,1H3,(H,15,19)(H,17,18)/t7-,8+/m1/s1.
What are the key properties of cis-(1R,3S)-3-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 282.26 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 106319562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).