(1S,3R,4R)-3-aminobicyclo[2.1.0]pentane-1-carboxylic acid;2,2,2-trifluoroacetic acid

C8H10F3NO4 — CID 138040097

IUPAC(1S,3R,4R)-3-aminobicyclo[2.1.0]pentane-1-carboxylic acid;2,2,2-trifluoroacetic acid
SMILESN[C@@H]1C[C@@]2(C(=O)O)C[C@@H]12.O=C(O)C(F)(F)F
InChIInChI=1S/C6H9NO2.C2HF3O2/c7-4-2-6(5(8)9)1-3(4)6;3-2(4,5)1(6)7/h3-4H,1-2,7H2,(H,8,9);(H,6,7)/t3-,4+,6-;/m0./s1
InChIKeyHQKCKLNOHKNGGX-ZUOBHZEMSA-N
MW241.16 g/mol
LogP0.44
Rot. Bonds1

About (1S,3R,4R)-3-aminobicyclo[2.1.0]pentane-1-carboxylic acid;2,2,2-trifluoroacetic acid

(1S,3R,4R)-3-aminobicyclo[2.1.0]pentane-1-carboxylic acid;2,2,2-trifluoroacetic acid (PubChem CID 138040097) has the molecular formula C8H10F3NO4 and a molecular weight of 241.16 g/mol. Its IUPAC name is (1S,3R,4R)-3-aminobicyclo[2.1.0]pentane-1-carboxylic acid;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(1S,3R,4R)-3-aminobicyclo[2.1.0]pentane-1-carboxylic acid;2,2,2-trifluoroacetic acid
PubChem CID138040097
Molecular FormulaC8H10F3NO4
Molecular Weight241.16 g/mol
Exact Mass241.06
IUPAC Name(1S,3R,4R)-3-aminobicyclo[2.1.0]pentane-1-carboxylic acid;2,2,2-trifluoroacetic acid
SMILESN[C@@H]1C[C@@]2(C(=O)O)C[C@@H]12.O=C(O)C(F)(F)F
InChIInChI=1S/C6H9NO2.C2HF3O2/c7-4-2-6(5(8)9)1-3(4)6;3-2(4,5)1(6)7/h3-4H,1-2,7H2,(H,8,9);(H,6,7)/t3-,4+,6-;/m0./s1
InChIKeyHQKCKLNOHKNGGX-ZUOBHZEMSA-N
XLogP0.44
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.16
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (1S,3R,4R)-3-aminobicyclo[2.1.0]pentane-1-carboxylic acid;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

cyclopropanamine;bis(2,2,2-trifluoroacetic acid)
CID 162300046
cyclohexane-1,4-diamine;2,2,2-trifluoroacetic acid
CID 68531631
azane;tris(2,2,2-trifluoroacetic acid)
CID 175976837
erbium;tris(2,2,2-trifluoroacetic acid)
CID 118855690
azane;pentakis(2,2,2-trifluoroacetic acid)
CID 174693543
2,2,2-trifluoroacetic acid;trihydrofluoride
CID 171927516
CID 85392225
CID 85392225
sulfanium 2,2,2-trifluoroacetic acid
CID 158048002
bicyclo[2.2.2]octane;bis(2,2,2-trifluoroacetic acid)
CID 87462470
(3S)-pyrrolidin-3-amine;2,2,2-trifluoroacetic acid
CID 172762354
trans-(1R,2R)-2-amino-3,3-difluorocyclohexan-1-ol;2,2,2-trifluoroacetic acid
CID 162304841
3-amino-1-(trifluoromethyl)cyclobutane-1-carboxylic acid;hydrochloride
CID 155820000

Frequently Asked Questions

What is the IUPAC name of (1S,3R,4R)-3-aminobicyclo[2.1.0]pentane-1-carboxylic acid;2,2,2-trifluoroacetic acid?
The IUPAC name of (1S,3R,4R)-3-aminobicyclo[2.1.0]pentane-1-carboxylic acid;2,2,2-trifluoroacetic acid (CID 138040097) is (1S,3R,4R)-3-aminobicyclo[2.1.0]pentane-1-carboxylic acid;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (1S,3R,4R)-3-aminobicyclo[2.1.0]pentane-1-carboxylic acid;2,2,2-trifluoroacetic acid?
The canonical SMILES for (1S,3R,4R)-3-aminobicyclo[2.1.0]pentane-1-carboxylic acid;2,2,2-trifluoroacetic acid is N[C@@H]1C[C@@]2(C(=O)O)C[C@@H]12.O=C(O)C(F)(F)F.
What is the InChIKey of (1S,3R,4R)-3-aminobicyclo[2.1.0]pentane-1-carboxylic acid;2,2,2-trifluoroacetic acid?
The InChIKey is HQKCKLNOHKNGGX-ZUOBHZEMSA-N. The full InChI is InChI=1S/C6H9NO2.C2HF3O2/c7-4-2-6(5(8)9)1-3(4)6;3-2(4,5)1(6)7/h3-4H,1-2,7H2,(H,8,9);(H,6,7)/t3-,4+,6-;/m0./s1.
What are the key properties of (1S,3R,4R)-3-aminobicyclo[2.1.0]pentane-1-carboxylic acid;2,2,2-trifluoroacetic acid?
(1S,3R,4R)-3-aminobicyclo[2.1.0]pentane-1-carboxylic acid;2,2,2-trifluoroacetic acid has a molecular weight of 241.16 g/mol, XLogP of 0.44, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3R,4R)-3-aminobicyclo[2.1.0]pentane-1-carboxylic acid;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 138040097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).