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

C8H10F3NO3 — CID 11107015

IUPACcis-(1R,3S)-3-[(2,2,2-trifluoroacetyl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(O)[C@@H]1CC[C@H](NC(=O)C(F)(F)F)C1
InChIInChI=1S/C8H10F3NO3/c9-8(10,11)7(15)12-5-2-1-4(3-5)6(13)14/h4-5H,1-3H2,(H,12,15)(H,13,14)/t4-,5+/m1/s1
InChIKeyFDPDVKNTVJRTOS-UHNVWZDZSA-N
MW225.17 g/mol
LogP0.92
Rot. Bonds2

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

cis-(1R,3S)-3-[(2,2,2-trifluoroacetyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 11107015) has the molecular formula C8H10F3NO3 and a molecular weight of 225.17 g/mol. Its IUPAC name is cis-(1R,3S)-3-[(2,2,2-trifluoroacetyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-[(2,2,2-trifluoroacetyl)amino]cyclopentane-1-carboxylic acid
PubChem CID11107015
Molecular FormulaC8H10F3NO3
Molecular Weight225.17 g/mol
Exact Mass225.06
IUPAC Namecis-(1R,3S)-3-[(2,2,2-trifluoroacetyl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(O)[C@@H]1CC[C@H](NC(=O)C(F)(F)F)C1
InChIInChI=1S/C8H10F3NO3/c9-8(10,11)7(15)12-5-2-1-4(3-5)6(13)14/h4-5H,1-3H2,(H,12,15)(H,13,14)/t4-,5+/m1/s1
InChIKeyFDPDVKNTVJRTOS-UHNVWZDZSA-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

trans-methyl (1S,3S)-3-[(2,2,2-trifluoroacetyl)amino]cyclopentane-1-carboxylate
CID 89202876
(1S,3R)-N-ethyl-3-(methylamino)-cyclopentanecarboxamide trifluoroacetate
CID 90157061
4-{[(Tert-butoxy)carbonyl]amino}-3,3-difluorocyclopentane-1-carboxylic acid
CID 138112227
3-[Cyclohexyl-(2,2,2-trifluoroacetyl)amino]cyclopentane-1-carboxylic acid;propane
CID 142826800
2,2-Difluoroethyl 3-formamidocyclopentane-1-carboxylate
CID 157036782
3-(Acetamidomethyl)-4-aminocyclopentane-1-carboxylic acid;2,2,2-trifluoroacetic acid
CID 157694372
(1S,4R)-4-(tert-butoxycarbonylamino)-3,3-difluoro-cyclopentanecarboxylic acid
CID 170330179
(1S,4S)-4-((tert-Butoxycarbonyl)amino)-3,3-difluorocyclopentanecarboxylic acid
CID 170330182
(1R,4S)-4-(tert-butoxycarbonylamino)-3,3-difluoro-cyclopentanecarboxylic acid
CID 170330269
(1S,3S,4S)-3-acetamido-4-fluorocyclopentane-1-carboxylic acid
CID 170330280
(1R,4R)-4-(tert-butoxycarbonylamino)-3,3-difluoro-cyclopentanecarboxylic acid
CID 170330474
ethyl (1S,3S,4S)-3-acetamido-4-fluorocyclopentane-1-carboxylate
CID 170580888

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[(2,2,2-trifluoroacetyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-[(2,2,2-trifluoroacetyl)amino]cyclopentane-1-carboxylic acid (CID 11107015) is cis-(1R,3S)-3-[(2,2,2-trifluoroacetyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-[(2,2,2-trifluoroacetyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-[(2,2,2-trifluoroacetyl)amino]cyclopentane-1-carboxylic acid is O=C(O)[C@@H]1CC[C@H](NC(=O)C(F)(F)F)C1.
What is the InChIKey of cis-(1R,3S)-3-[(2,2,2-trifluoroacetyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is FDPDVKNTVJRTOS-UHNVWZDZSA-N. The full InChI is InChI=1S/C8H10F3NO3/c9-8(10,11)7(15)12-5-2-1-4(3-5)6(13)14/h4-5H,1-3H2,(H,12,15)(H,13,14)/t4-,5+/m1/s1.
What are the key properties of cis-(1R,3S)-3-[(2,2,2-trifluoroacetyl)amino]cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-[(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-(1R,3S)-3-[(2,2,2-trifluoroacetyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 11107015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).