(3S,4R)-3-amino-4-(trifluoromethyl)cyclopentene-1-carboxylic acid

C7H8F3NO2 — CID 169171272

IUPAC(3S,4R)-3-amino-4-(trifluoromethyl)cyclopentene-1-carboxylic acid
SMILESN[C@H]1C=C(C(=O)O)C[C@H]1C(F)(F)F
InChIInChI=1S/C7H8F3NO2/c8-7(9,10)4-1-3(6(12)13)2-5(4)11/h2,4-5H,1,11H2,(H,12,13)/t4-,5+/m1/s1
InChIKeyZLYKFXNAPXUQJA-UHNVWZDZSA-N
MW195.14 g/mol
LogP0.91
Rot. Bonds1

About (3S,4R)-3-amino-4-(trifluoromethyl)cyclopentene-1-carboxylic acid

(3S,4R)-3-amino-4-(trifluoromethyl)cyclopentene-1-carboxylic acid (PubChem CID 169171272) has the molecular formula C7H8F3NO2 and a molecular weight of 195.14 g/mol. Its IUPAC name is (3S,4R)-3-amino-4-(trifluoromethyl)cyclopentene-1-carboxylic acid.

Molecular Properties

Compound Name(3S,4R)-3-amino-4-(trifluoromethyl)cyclopentene-1-carboxylic acid
PubChem CID169171272
Molecular FormulaC7H8F3NO2
Molecular Weight195.14 g/mol
Exact Mass195.05
IUPAC Name(3S,4R)-3-amino-4-(trifluoromethyl)cyclopentene-1-carboxylic acid
SMILESN[C@H]1C=C(C(=O)O)C[C@H]1C(F)(F)F
InChIInChI=1S/C7H8F3NO2/c8-7(9,10)4-1-3(6(12)13)2-5(4)11/h2,4-5H,1,11H2,(H,12,13)/t4-,5+/m1/s1
InChIKeyZLYKFXNAPXUQJA-UHNVWZDZSA-N
XLogP0.91
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.14
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,4R,5S)-4,5-diamino-3-hydroxycyclohexene-1-carboxylic acid
CID 68821914
(4S)-4-aminocyclopentene-1-carboxylic acid
CID 12645058
(4S)-4-aminocyclopentene-1-carboxylic acid;hydrochloride
CID 155905079
4-aminocyclopentene-1-carboxylic acid;hydrochloride
CID 12645057
3-hydroxy-4,5-dimethylcyclohexene-1-carboxylic acid
CID 59477067
tricyclo[5.2.1.02,6]deca-3,8-diene-4-carboxylic acid
CID 118632672
(1S,5R,6S)-5-hydroxy-7-oxabicyclo[4.1.0]hept-3-ene-3-carboxylic acid
CID 87931543
tert-butyl (3R,4R)-4-amino-3-(trifluoromethyl)piperidine-1-carboxylate
CID 86327283
(3S,4S,5R)-4,5-diamino-3-pentan-3-yloxycyclohexene-1-carboxylic acid
CID 154639009
4-amino-5-(aminodiazenyl)-3-(methoxymethoxy)cyclohexene-1-carboxylic acid
CID 162958029
(3S)-3-(2-ethylbutyl)cyclobutene-1-carboxylic acid
CID 118422918
(3aS,6aR)-2-oxo-3,3a,4,6a-tetrahydrocyclopenta[b]furan-5-carboxylic acid
CID 163211761

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-amino-4-(trifluoromethyl)cyclopentene-1-carboxylic acid?
The IUPAC name of (3S,4R)-3-amino-4-(trifluoromethyl)cyclopentene-1-carboxylic acid (CID 169171272) is (3S,4R)-3-amino-4-(trifluoromethyl)cyclopentene-1-carboxylic acid.
What is the SMILES notation for (3S,4R)-3-amino-4-(trifluoromethyl)cyclopentene-1-carboxylic acid?
The canonical SMILES for (3S,4R)-3-amino-4-(trifluoromethyl)cyclopentene-1-carboxylic acid is N[C@H]1C=C(C(=O)O)C[C@H]1C(F)(F)F.
What is the InChIKey of (3S,4R)-3-amino-4-(trifluoromethyl)cyclopentene-1-carboxylic acid?
The InChIKey is ZLYKFXNAPXUQJA-UHNVWZDZSA-N. The full InChI is InChI=1S/C7H8F3NO2/c8-7(9,10)4-1-3(6(12)13)2-5(4)11/h2,4-5H,1,11H2,(H,12,13)/t4-,5+/m1/s1.
What are the key properties of (3S,4R)-3-amino-4-(trifluoromethyl)cyclopentene-1-carboxylic acid?
(3S,4R)-3-amino-4-(trifluoromethyl)cyclopentene-1-carboxylic acid has a molecular weight of 195.14 g/mol, XLogP of 0.91, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-amino-4-(trifluoromethyl)cyclopentene-1-carboxylic acid is sourced from PubChem (CID 169171272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).