cis-(2,2,2-trifluoroacetyl) (1S,2R)-2-aminocyclopentane-1-carboxylate

C8H10F3NO3 — CID 118354192

IUPACcis-(2,2,2-trifluoroacetyl) (1S,2R)-2-aminocyclopentane-1-carboxylate
SMILESN[C@@H]1CCC[C@@H]1C(=O)OC(=O)C(F)(F)F
InChIInChI=1S/C8H10F3NO3/c9-8(10,11)7(14)15-6(13)4-2-1-3-5(4)12/h4-5H,1-3,12H2/t4-,5+/m0/s1
InChIKeyYKDRKQUVPLNJLE-CRCLSJGQSA-N
MW225.17 g/mol
LogP0.75
Rot. Bonds1

About cis-(2,2,2-trifluoroacetyl) (1S,2R)-2-aminocyclopentane-1-carboxylate

cis-(2,2,2-trifluoroacetyl) (1S,2R)-2-aminocyclopentane-1-carboxylate (PubChem CID 118354192) has the molecular formula C8H10F3NO3 and a molecular weight of 225.17 g/mol. Its IUPAC name is cis-(2,2,2-trifluoroacetyl) (1S,2R)-2-aminocyclopentane-1-carboxylate.

Molecular Properties

Compound Namecis-(2,2,2-trifluoroacetyl) (1S,2R)-2-aminocyclopentane-1-carboxylate
PubChem CID118354192
Molecular FormulaC8H10F3NO3
Molecular Weight225.17 g/mol
Exact Mass225.06
IUPAC Namecis-(2,2,2-trifluoroacetyl) (1S,2R)-2-aminocyclopentane-1-carboxylate
SMILESN[C@@H]1CCC[C@@H]1C(=O)OC(=O)C(F)(F)F
InChIInChI=1S/C8H10F3NO3/c9-8(10,11)7(14)15-6(13)4-2-1-3-5(4)12/h4-5H,1-3,12H2/t4-,5+/m0/s1
InChIKeyYKDRKQUVPLNJLE-CRCLSJGQSA-N
XLogP0.75
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.17
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

carbamoyl 2-aminocyclohexane-1-carboxylate
CID 91289585
ethyl 2-aminocyclopentane-1-carboxylate;hydrochloride
CID 22258377
cis-(2,3,4,5,6-pentafluorophenyl) (1R,2S)-2-aminocyclopentane-1-carboxylate
CID 87764987
trans-methyl (1S,2S)-2-aminocyclohexane-1-carboxylate;hydrochloride
CID 91754378
cyclohexyl 2-aminocyclohexane-1-carboxylate
CID 64816672
trans-(1S,2S)-2-aminocyclopentane-1-carboxylic acid;hydrochloride
CID 56971751
cis-(1S,2R)-2-aminocyclopentane-1-carboxamide;hydrochloride
CID 122236355
bis(cis-(1R,2S)-2-aminocyclopentane-1-carboxylic acid);hydrate;dihydrochloride
CID 2725066
cyclohexylmethyl 2-aminocyclohexane-1-carboxylate
CID 64817458
methyl 2-[(2-aminocyclopentanecarbonyl)amino]-2-methylpropanoate
CID 64823158
methyl 2-(2-aminocyclohexyl)-2,2-difluoroacetate
CID 84722353
cis-(1R,2S)-2-aminocyclohexane-1-carboxylic acid
CID 2724639

Frequently Asked Questions

What is the IUPAC name of cis-(2,2,2-trifluoroacetyl) (1S,2R)-2-aminocyclopentane-1-carboxylate?
The IUPAC name of cis-(2,2,2-trifluoroacetyl) (1S,2R)-2-aminocyclopentane-1-carboxylate (CID 118354192) is cis-(2,2,2-trifluoroacetyl) (1S,2R)-2-aminocyclopentane-1-carboxylate.
What is the SMILES notation for cis-(2,2,2-trifluoroacetyl) (1S,2R)-2-aminocyclopentane-1-carboxylate?
The canonical SMILES for cis-(2,2,2-trifluoroacetyl) (1S,2R)-2-aminocyclopentane-1-carboxylate is N[C@@H]1CCC[C@@H]1C(=O)OC(=O)C(F)(F)F.
What is the InChIKey of cis-(2,2,2-trifluoroacetyl) (1S,2R)-2-aminocyclopentane-1-carboxylate?
The InChIKey is YKDRKQUVPLNJLE-CRCLSJGQSA-N. The full InChI is InChI=1S/C8H10F3NO3/c9-8(10,11)7(14)15-6(13)4-2-1-3-5(4)12/h4-5H,1-3,12H2/t4-,5+/m0/s1.
What are the key properties of cis-(2,2,2-trifluoroacetyl) (1S,2R)-2-aminocyclopentane-1-carboxylate?
cis-(2,2,2-trifluoroacetyl) (1S,2R)-2-aminocyclopentane-1-carboxylate has a molecular weight of 225.17 g/mol, XLogP of 0.75, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(2,2,2-trifluoroacetyl) (1S,2R)-2-aminocyclopentane-1-carboxylate is sourced from PubChem (CID 118354192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).