tert-butyl (3R,5S)-3-amino-5-methylpiperidine-1-carboxylate

C11H22N2O2 — CID 67986310

IUPACtert-butyl (3R,5S)-3-amino-5-methylpiperidine-1-carboxylate
SMILESC[C@H]1C[C@@H](N)CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C11H22N2O2/c1-8-5-9(12)7-13(6-8)10(14)15-11(2,3)4/h8-9H,5-7,12H2,1-4H3/t8-,9+/m0/s1
InChIKeyPLLHWQMECGKRCY-DTWKUNHWSA-N
MW214.31 g/mol
LogP1.59
Rot. Bonds

About tert-butyl (3R,5S)-3-amino-5-methylpiperidine-1-carboxylate

tert-butyl (3R,5S)-3-amino-5-methylpiperidine-1-carboxylate (PubChem CID 67986310) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is tert-butyl (3R,5S)-3-amino-5-methylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R,5S)-3-amino-5-methylpiperidine-1-carboxylate
PubChem CID67986310
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Nametert-butyl (3R,5S)-3-amino-5-methylpiperidine-1-carboxylate
SMILESC[C@H]1C[C@@H](N)CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C11H22N2O2/c1-8-5-9(12)7-13(6-8)10(14)15-11(2,3)4/h8-9H,5-7,12H2,1-4H3/t8-,9+/m0/s1
InChIKeyPLLHWQMECGKRCY-DTWKUNHWSA-N
XLogP1.59
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (3S,5R)-3-amino-5-methylpiperidine-1-carboxylate
CID 118796258
tert-butyl (3R,5S)-3-(hydroxymethyl)-5-methylpiperidine-1-carboxylate
CID 118006982
tert-butyl 3-amino-5-hydroxypiperidine-1-carboxylate
CID 83680140
tert-butyl (3S,5S)-3-amino-5-hydroxypiperidine-1-carboxylate
CID 124510092
tert-butyl (3R,5S)-3-acetyl-5-methylpiperidine-1-carboxylate
CID 178195276
tert-butyl 3-(3-aminocyclobutyl)azetidine-1-carboxylate
CID 155890892
tert-butyl (3S,4S)-3,4-dimethylpyrrolidine-1-carboxylate
CID 90195379
2-methylpropyl 3-amino-5-methylpiperidine-1-carboxylate
CID 79994442
tert-butyl 3-(aminomethyl)azetidine-1-carboxylate;hydrochloride
CID 45072199
tert-butyl 3-aminopiperidine-1-carboxylate;dihydrochloride
CID 155920291
tert-butyl (3R)-3-methylpyrrolidine-1-carboxylate
CID 59070240
tert-butyl 7-amino-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxylate
CID 74893751

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R,5S)-3-amino-5-methylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl (3R,5S)-3-amino-5-methylpiperidine-1-carboxylate (CID 67986310) is tert-butyl (3R,5S)-3-amino-5-methylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R,5S)-3-amino-5-methylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R,5S)-3-amino-5-methylpiperidine-1-carboxylate is C[C@H]1C[C@@H](N)CN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl (3R,5S)-3-amino-5-methylpiperidine-1-carboxylate?
The InChIKey is PLLHWQMECGKRCY-DTWKUNHWSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-8-5-9(12)7-13(6-8)10(14)15-11(2,3)4/h8-9H,5-7,12H2,1-4H3/t8-,9+/m0/s1.
What are the key properties of tert-butyl (3R,5S)-3-amino-5-methylpiperidine-1-carboxylate?
tert-butyl (3R,5S)-3-amino-5-methylpiperidine-1-carboxylate has a molecular weight of 214.31 g/mol, XLogP of 1.59, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R,5S)-3-amino-5-methylpiperidine-1-carboxylate is sourced from PubChem (CID 67986310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).