(2S)-2-amino-2-cyclohexyl-N-methylacetamide;2,2,2-trifluoroacetic acid

C11H19F3N2O3 — CID 68634219

IUPAC(2S)-2-amino-2-cyclohexyl-N-methylacetamide;2,2,2-trifluoroacetic acid
SMILESCNC(=O)[C@@H](N)C1CCCCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C9H18N2O.C2HF3O2/c1-11-9(12)8(10)7-5-3-2-4-6-7;3-2(4,5)1(6)7/h7-8H,2-6,10H2,1H3,(H,11,12);(H,6,7)/t8-;/m0./s1
InChIKeyOVHLKWRIXWIHEH-QRPNPIFTSA-N
MW284.28 g/mol
LogP1.27
Rot. Bonds2

About (2S)-2-amino-2-cyclohexyl-N-methylacetamide;2,2,2-trifluoroacetic acid

(2S)-2-amino-2-cyclohexyl-N-methylacetamide;2,2,2-trifluoroacetic acid (PubChem CID 68634219) has the molecular formula C11H19F3N2O3 and a molecular weight of 284.28 g/mol. Its IUPAC name is (2S)-2-amino-2-cyclohexyl-N-methylacetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(2S)-2-amino-2-cyclohexyl-N-methylacetamide;2,2,2-trifluoroacetic acid
PubChem CID68634219
Molecular FormulaC11H19F3N2O3
Molecular Weight284.28 g/mol
Exact Mass284.13
IUPAC Name(2S)-2-amino-2-cyclohexyl-N-methylacetamide;2,2,2-trifluoroacetic acid
SMILESCNC(=O)[C@@H](N)C1CCCCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C9H18N2O.C2HF3O2/c1-11-9(12)8(10)7-5-3-2-4-6-7;3-2(4,5)1(6)7/h7-8H,2-6,10H2,1H3,(H,11,12);(H,6,7)/t8-;/m0./s1
InChIKeyOVHLKWRIXWIHEH-QRPNPIFTSA-N
XLogP1.27
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-cyclohexyl-N-methylacetamide;2,2,2-trifluoroacetic acid?
The IUPAC name of (2S)-2-amino-2-cyclohexyl-N-methylacetamide;2,2,2-trifluoroacetic acid (CID 68634219) is (2S)-2-amino-2-cyclohexyl-N-methylacetamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (2S)-2-amino-2-cyclohexyl-N-methylacetamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for (2S)-2-amino-2-cyclohexyl-N-methylacetamide;2,2,2-trifluoroacetic acid is CNC(=O)[C@@H](N)C1CCCCC1.O=C(O)C(F)(F)F.
What is the InChIKey of (2S)-2-amino-2-cyclohexyl-N-methylacetamide;2,2,2-trifluoroacetic acid?
The InChIKey is OVHLKWRIXWIHEH-QRPNPIFTSA-N. The full InChI is InChI=1S/C9H18N2O.C2HF3O2/c1-11-9(12)8(10)7-5-3-2-4-6-7;3-2(4,5)1(6)7/h7-8H,2-6,10H2,1H3,(H,11,12);(H,6,7)/t8-;/m0./s1.
What are the key properties of (2S)-2-amino-2-cyclohexyl-N-methylacetamide;2,2,2-trifluoroacetic acid?
(2S)-2-amino-2-cyclohexyl-N-methylacetamide;2,2,2-trifluoroacetic acid has a molecular weight of 284.28 g/mol, XLogP of 1.27, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-cyclohexyl-N-methylacetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 68634219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).