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

C8H10F3NO3 — CID 84689581

IUPACtrans-(1R,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-/m1/s1
InChIKeyGRRFLCSUYNSJAW-RFZPGFLSSA-N
MW225.17 g/mol
LogP0.92
Rot. Bonds2

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

trans-(1R,2R)-2-[(2,2,2-trifluoroacetyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 84689581) has the molecular formula C8H10F3NO3 and a molecular weight of 225.17 g/mol. Its IUPAC name is trans-(1R,2R)-2-[(2,2,2-trifluoroacetyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[(2,2,2-trifluoroacetyl)amino]cyclopentane-1-carboxylic acid
PubChem CID84689581
Molecular FormulaC8H10F3NO3
Molecular Weight225.17 g/mol
Exact Mass225.06
IUPAC Nametrans-(1R,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-/m1/s1
InChIKeyGRRFLCSUYNSJAW-RFZPGFLSSA-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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Related Compounds

(1S,2R,4R)-4-hydroxy-2-[(2,2,2-trifluoroacetyl)amino]cyclohexane-1-carboxylic acid
CID 167721081
2-[[2-(ethylamino)-2-methylpropanoyl]amino]cyclopentane-1-carboxylic acid
CID 64814582
2-(2,2-dimethylbutanoylamino)cyclopentane-1-carboxylic acid
CID 64814112
2,2,2-trifluoro-N-(2-hydroxycyclohexyl)acetamide
CID 62360896
2-(3,3,3-trifluoropropylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 64815987
trans-(1R,2R)-2-(methoxycarbonylamino)cyclopentane-1-carboxylic acid
CID 59166337
2-(methoxycarbonylamino)cyclopentane-1-carboxylic acid
CID 64817772
2-(cyclopentanecarbonylamino)cyclopentane-1-carboxylic acid
CID 64814347
cis-(1R,2S)-2-(carbamothioylamino)cyclopentane-1-carboxylic acid
CID 15534342
2-[(2-amino-2-methylbutanoyl)amino]cyclohexane-1-carboxylic acid
CID 79811925
2-[[2-(trifluoromethyl)cyclohexyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 103978245
methyl N-[(1S,2R)-2-[(2,2,2-trifluoroacetyl)amino]cyclohexyl]carbamate
CID 118104467

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[(2,2,2-trifluoroacetyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of trans-(1R,2R)-2-[(2,2,2-trifluoroacetyl)amino]cyclopentane-1-carboxylic acid (CID 84689581) is trans-(1R,2R)-2-[(2,2,2-trifluoroacetyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for trans-(1R,2R)-2-[(2,2,2-trifluoroacetyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for trans-(1R,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 trans-(1R,2R)-2-[(2,2,2-trifluoroacetyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is GRRFLCSUYNSJAW-RFZPGFLSSA-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-/m1/s1.
What are the key properties of trans-(1R,2R)-2-[(2,2,2-trifluoroacetyl)amino]cyclopentane-1-carboxylic acid?
trans-(1R,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 trans-(1R,2R)-2-[(2,2,2-trifluoroacetyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 84689581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).