[(2S)-2-amino-4-methyl-1-morpholin-4-ylpentyl] 2,2,2-trifluoroacetate

C12H21F3N2O3 — CID 67625788

IUPAC[(2S)-2-amino-4-methyl-1-morpholin-4-ylpentyl] 2,2,2-trifluoroacetate
SMILESCC(C)C[C@H](N)C(OC(=O)C(F)(F)F)N1CCOCC1
InChIInChI=1S/C12H21F3N2O3/c1-8(2)7-9(16)10(17-3-5-19-6-4-17)20-11(18)12(13,14)15/h8-10H,3-7,16H2,1-2H3/t9-,10?/m0/s1
InChIKeyHCFORFVMDZTISY-RGURZIINSA-N
MW298.31 g/mol
LogP1.12
Rot. Bonds5

About [(2S)-2-amino-4-methyl-1-morpholin-4-ylpentyl] 2,2,2-trifluoroacetate

[(2S)-2-amino-4-methyl-1-morpholin-4-ylpentyl] 2,2,2-trifluoroacetate (PubChem CID 67625788) has the molecular formula C12H21F3N2O3 and a molecular weight of 298.31 g/mol. Its IUPAC name is [(2S)-2-amino-4-methyl-1-morpholin-4-ylpentyl] 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[(2S)-2-amino-4-methyl-1-morpholin-4-ylpentyl] 2,2,2-trifluoroacetate
PubChem CID67625788
Molecular FormulaC12H21F3N2O3
Molecular Weight298.31 g/mol
Exact Mass298.15
IUPAC Name[(2S)-2-amino-4-methyl-1-morpholin-4-ylpentyl] 2,2,2-trifluoroacetate
SMILESCC(C)C[C@H](N)C(OC(=O)C(F)(F)F)N1CCOCC1
InChIInChI=1S/C12H21F3N2O3/c1-8(2)7-9(16)10(17-3-5-19-6-4-17)20-11(18)12(13,14)15/h8-10H,3-7,16H2,1-2H3/t9-,10?/m0/s1
InChIKeyHCFORFVMDZTISY-RGURZIINSA-N
XLogP1.12
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-morpholino-2-(S)-amino-4-methylpentane trifluoroacetate salt
CID 18649578
4-Methyl-1-morpholin-4-ylpentan-2-amine;2,2,2-trifluoroacetic acid
CID 19107608
(2-Amino-4-methyl-5-morpholin-4-ylpentyl) 2,2,2-trifluoroacetate
CID 67875257
[4-Amino-1-(2-methylpropyl)piperidin-3-yl] 2,2,2-trifluoroacetate
CID 117604387
[1-(3-Methylbutyl)piperazin-2-yl] 2,2,2-trifluoroacetate
CID 141634123
[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl (2S)-2-aminopropanoate
CID 156835214
2,2,2-trifluoroethyl N-(4-methyl-2-morpholin-4-ylpentyl)carbamate
CID 65168544
Methyl 2-amino-3-[3-(trifluoromethyl)piperidin-1-yl]propanoate
CID 65530052
Ethyl 2-(ethylamino)-3-[3-(trifluoromethyl)piperidin-1-yl]propanoate
CID 65530441
Ethyl 2-(propylamino)-3-[3-(trifluoromethyl)piperidin-1-yl]propanoate
CID 65530633
Ethyl 2-(propan-2-ylamino)-3-[3-(trifluoromethyl)piperidin-1-yl]propanoate
CID 65530634
Ethyl 2-amino-3-[3-(trifluoromethyl)piperidin-1-yl]propanoate
CID 65531212

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-amino-4-methyl-1-morpholin-4-ylpentyl] 2,2,2-trifluoroacetate?
The IUPAC name of [(2S)-2-amino-4-methyl-1-morpholin-4-ylpentyl] 2,2,2-trifluoroacetate (CID 67625788) is [(2S)-2-amino-4-methyl-1-morpholin-4-ylpentyl] 2,2,2-trifluoroacetate.
What is the SMILES notation for [(2S)-2-amino-4-methyl-1-morpholin-4-ylpentyl] 2,2,2-trifluoroacetate?
The canonical SMILES for [(2S)-2-amino-4-methyl-1-morpholin-4-ylpentyl] 2,2,2-trifluoroacetate is CC(C)C[C@H](N)C(OC(=O)C(F)(F)F)N1CCOCC1.
What is the InChIKey of [(2S)-2-amino-4-methyl-1-morpholin-4-ylpentyl] 2,2,2-trifluoroacetate?
The InChIKey is HCFORFVMDZTISY-RGURZIINSA-N. The full InChI is InChI=1S/C12H21F3N2O3/c1-8(2)7-9(16)10(17-3-5-19-6-4-17)20-11(18)12(13,14)15/h8-10H,3-7,16H2,1-2H3/t9-,10?/m0/s1.
What are the key properties of [(2S)-2-amino-4-methyl-1-morpholin-4-ylpentyl] 2,2,2-trifluoroacetate?
[(2S)-2-amino-4-methyl-1-morpholin-4-ylpentyl] 2,2,2-trifluoroacetate has a molecular weight of 298.31 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-amino-4-methyl-1-morpholin-4-ylpentyl] 2,2,2-trifluoroacetate is sourced from PubChem (CID 67625788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).