cis-(1S,2R)-2-[(2,2,2-trifluoroacetyl)amino]cyclopentane-1-carboxylic acid

C8H10F3NO3 — CID 84689580

IUPACcis-(1S,2R)-2-[(2,2,2-trifluoroacetyl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(O)[C@H]1CCC[C@H]1NC(=O)C(F)(F)F
InChIInChI=1S/C8H10F3NO3/c9-8(10,11)7(15)12-5-3-1-2-4(5)6(13)14/h4-5H,1-3H2,(H,12,15)(H,13,14)/t4-,5+/m0/s1
InChIKeyGRRFLCSUYNSJAW-CRCLSJGQSA-N
MW225.17 g/mol
LogP0.92
Rot. Bonds2

About cis-(1S,2R)-2-[(2,2,2-trifluoroacetyl)amino]cyclopentane-1-carboxylic acid

cis-(1S,2R)-2-[(2,2,2-trifluoroacetyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 84689580) has the molecular formula C8H10F3NO3 and a molecular weight of 225.17 g/mol. Its IUPAC name is cis-(1S,2R)-2-[(2,2,2-trifluoroacetyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,2R)-2-[(2,2,2-trifluoroacetyl)amino]cyclopentane-1-carboxylic acid
PubChem CID84689580
Molecular FormulaC8H10F3NO3
Molecular Weight225.17 g/mol
Exact Mass225.06
IUPAC Namecis-(1S,2R)-2-[(2,2,2-trifluoroacetyl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(O)[C@H]1CCC[C@H]1NC(=O)C(F)(F)F
InChIInChI=1S/C8H10F3NO3/c9-8(10,11)7(15)12-5-3-1-2-4(5)6(13)14/h4-5H,1-3H2,(H,12,15)(H,13,14)/t4-,5+/m0/s1
InChIKeyGRRFLCSUYNSJAW-CRCLSJGQSA-N
XLogP0.92
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.17
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-[(2,2,2-trifluoroacetyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1S,2R)-2-[(2,2,2-trifluoroacetyl)amino]cyclopentane-1-carboxylic acid (CID 84689580) is cis-(1S,2R)-2-[(2,2,2-trifluoroacetyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,2R)-2-[(2,2,2-trifluoroacetyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1S,2R)-2-[(2,2,2-trifluoroacetyl)amino]cyclopentane-1-carboxylic acid is O=C(O)[C@H]1CCC[C@H]1NC(=O)C(F)(F)F.
What is the InChIKey of cis-(1S,2R)-2-[(2,2,2-trifluoroacetyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is GRRFLCSUYNSJAW-CRCLSJGQSA-N. The full InChI is InChI=1S/C8H10F3NO3/c9-8(10,11)7(15)12-5-3-1-2-4(5)6(13)14/h4-5H,1-3H2,(H,12,15)(H,13,14)/t4-,5+/m0/s1.
What are the key properties of cis-(1S,2R)-2-[(2,2,2-trifluoroacetyl)amino]cyclopentane-1-carboxylic acid?
cis-(1S,2R)-2-[(2,2,2-trifluoroacetyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 225.17 g/mol, XLogP of 0.92, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-[(2,2,2-trifluoroacetyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 84689580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).