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

C10H15F3N2O3 — CID 114173492

IUPACcis-(1R,3S)-3-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(CNCC(F)(F)F)N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C10H15F3N2O3/c11-10(12,13)5-14-4-8(16)15-7-2-1-6(3-7)9(17)18/h6-7,14H,1-5H2,(H,15,16)(H,17,18)/t6-,7+/m1/s1
InChIKeyQQXDEVZSOHKEIY-RQJHMYQMSA-N
MW268.23 g/mol
LogP0.51
Rot. Bonds5

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

cis-(1R,3S)-3-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 114173492) has the molecular formula C10H15F3N2O3 and a molecular weight of 268.23 g/mol. Its IUPAC name is cis-(1R,3S)-3-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]cyclopentane-1-carboxylic acid
PubChem CID114173492
Molecular FormulaC10H15F3N2O3
Molecular Weight268.23 g/mol
Exact Mass268.10
IUPAC Namecis-(1R,3S)-3-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(CNCC(F)(F)F)N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C10H15F3N2O3/c11-10(12,13)5-14-4-8(16)15-7-2-1-6(3-7)9(17)18/h6-7,14H,1-5H2,(H,15,16)(H,17,18)/t6-,7+/m1/s1
InChIKeyQQXDEVZSOHKEIY-RQJHMYQMSA-N
XLogP0.51
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.23
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,4S,5R)-5-(acetamidomethyl)-4-methylpyrrolidine-2-carboxylic acid;2,2,2-trifluoroacetic acid
CID 69868348
trans-methyl (1S,3S)-3-[(2,2,2-trifluoroacetyl)amino]cyclopentane-1-carboxylate
CID 89202876
3-(Acetamidomethyl)-4-aminocyclopentane-1-carboxylic acid;2,2,2-trifluoroacetic acid
CID 157694372
(1S,3S,4S)-3-acetamido-4-fluorocyclopentane-1-carboxylic acid
CID 170330280
rac-(1R,3S)-3-(trifluoroacetamido)cyclopentane-1-carboxylic acid
CID 11107015
4-[[2-Oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]cyclohexane-1-carboxylic acid
CID 60810375
3-[(2,2,2-Trifluoroacetyl)amino]cyclopentane-1-carboxylic acid
CID 65998260
3-(3,3,3-Trifluoropropylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 66030262
3-(4,4,4-Trifluorobutanoylamino)cyclopentane-1-carboxylic acid
CID 66030534
3-(3,3,3-Trifluoropropanoylamino)cyclopentane-1-carboxylic acid
CID 66030925
3-[[Methyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 66031225
3-[[Ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 66031638

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]cyclopentane-1-carboxylic acid (CID 114173492) is cis-(1R,3S)-3-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]cyclopentane-1-carboxylic acid is O=C(CNCC(F)(F)F)N[C@H]1CC[C@@H](C(=O)O)C1.
What is the InChIKey of cis-(1R,3S)-3-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is QQXDEVZSOHKEIY-RQJHMYQMSA-N. The full InChI is InChI=1S/C10H15F3N2O3/c11-10(12,13)5-14-4-8(16)15-7-2-1-6(3-7)9(17)18/h6-7,14H,1-5H2,(H,15,16)(H,17,18)/t6-,7+/m1/s1.
What are the key properties of cis-(1R,3S)-3-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 268.23 g/mol, XLogP of 0.51, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 114173492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).