tert-butyl (3S)-3-amino-3-methylpiperidine-1-carboxylate;ethane

C13H28N2O2 — CID 155737634

IUPACtert-butyl (3S)-3-amino-3-methylpiperidine-1-carboxylate;ethane
SMILESCC.CC(C)(C)OC(=O)N1CCC[C@](C)(N)C1
InChIInChI=1S/C11H22N2O2.C2H6/c1-10(2,3)15-9(14)13-7-5-6-11(4,12)8-13;1-2/h5-8,12H2,1-4H3;1-2H3/t11-;/m0./s1
InChIKeySZYKBBXOMOQGTH-MERQFXBCSA-N
MW244.38 g/mol
LogP2.76
Rot. Bonds

About tert-butyl (3S)-3-amino-3-methylpiperidine-1-carboxylate;ethane

tert-butyl (3S)-3-amino-3-methylpiperidine-1-carboxylate;ethane (PubChem CID 155737634) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is tert-butyl (3S)-3-amino-3-methylpiperidine-1-carboxylate;ethane.

Molecular Properties

Compound Nametert-butyl (3S)-3-amino-3-methylpiperidine-1-carboxylate;ethane
PubChem CID155737634
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Nametert-butyl (3S)-3-amino-3-methylpiperidine-1-carboxylate;ethane
SMILESCC.CC(C)(C)OC(=O)N1CCC[C@](C)(N)C1
InChIInChI=1S/C11H22N2O2.C2H6/c1-10(2,3)15-9(14)13-7-5-6-11(4,12)8-13;1-2/h5-8,12H2,1-4H3;1-2H3/t11-;/m0./s1
InChIKeySZYKBBXOMOQGTH-MERQFXBCSA-N
XLogP2.76
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid
CID 26601059
tert-butyl (3S)-3-chloro-3-methylpiperidine-1-carboxylate
CID 97171665
tert-butyl (3S)-3-amino-3-(hydroxymethyl)piperidine-1-carboxylate
CID 96892899
tert-butyl 3-amino-3-(hydroxymethyl)piperidine-1-carboxylate
CID 82662965
tert-butyl 4,4-dimethylazepane-1-carboxylate
CID 65286456
tert-butyl 3-ethenyl-3-methylpiperidine-1-carboxylate
CID 123836479
4-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]azepane-4-carboxylic acid
CID 44607608
zinc tert-butyl 3-methanidyl-3-methylpyrrolidine-1-carboxylate
CID 162464292
tert-butyl 3-amino-3-(2-oxopropyl)piperidine-1-carboxylate
CID 115047871
tert-butyl 3-amino-3-propylpiperidine-1-carboxylate
CID 83693042
1-O-tert-butyl 3-O-methyl (3S)-3-methylpiperidine-1,3-dicarboxylate
CID 86307189
tert-butyl (3R)-3-(methoxymethyl)-3-methylpiperidine-1-carboxylate
CID 129395641

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S)-3-amino-3-methylpiperidine-1-carboxylate;ethane?
The IUPAC name of tert-butyl (3S)-3-amino-3-methylpiperidine-1-carboxylate;ethane (CID 155737634) is tert-butyl (3S)-3-amino-3-methylpiperidine-1-carboxylate;ethane.
What is the SMILES notation for tert-butyl (3S)-3-amino-3-methylpiperidine-1-carboxylate;ethane?
The canonical SMILES for tert-butyl (3S)-3-amino-3-methylpiperidine-1-carboxylate;ethane is CC.CC(C)(C)OC(=O)N1CCC[C@](C)(N)C1.
What is the InChIKey of tert-butyl (3S)-3-amino-3-methylpiperidine-1-carboxylate;ethane?
The InChIKey is SZYKBBXOMOQGTH-MERQFXBCSA-N. The full InChI is InChI=1S/C11H22N2O2.C2H6/c1-10(2,3)15-9(14)13-7-5-6-11(4,12)8-13;1-2/h5-8,12H2,1-4H3;1-2H3/t11-;/m0./s1.
What are the key properties of tert-butyl (3S)-3-amino-3-methylpiperidine-1-carboxylate;ethane?
tert-butyl (3S)-3-amino-3-methylpiperidine-1-carboxylate;ethane has a molecular weight of 244.38 g/mol, XLogP of 2.76, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S)-3-amino-3-methylpiperidine-1-carboxylate;ethane is sourced from PubChem (CID 155737634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).