tert-butyl (3S)-3-(methylamino)piperidine-3-carboxylate

C11H22N2O2 — CID 52987650

IUPACtert-butyl (3S)-3-(methylamino)piperidine-3-carboxylate
SMILESCN[C@@]1(C(=O)OC(C)(C)C)CCCNC1
InChIInChI=1S/C11H22N2O2/c1-10(2,3)15-9(14)11(12-4)6-5-7-13-8-11/h12-13H,5-8H2,1-4H3/t11-/m0/s1
InChIKeyCAYDBSFSSDWEDD-NSHDSACASA-N
MW214.31 g/mol
LogP0.67
Rot. Bonds2

About tert-butyl (3S)-3-(methylamino)piperidine-3-carboxylate

tert-butyl (3S)-3-(methylamino)piperidine-3-carboxylate (PubChem CID 52987650) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is tert-butyl (3S)-3-(methylamino)piperidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (3S)-3-(methylamino)piperidine-3-carboxylate
PubChem CID52987650
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Nametert-butyl (3S)-3-(methylamino)piperidine-3-carboxylate
SMILESCN[C@@]1(C(=O)OC(C)(C)C)CCCNC1
InChIInChI=1S/C11H22N2O2/c1-10(2,3)15-9(14)11(12-4)6-5-7-13-8-11/h12-13H,5-8H2,1-4H3/t11-/m0/s1
InChIKeyCAYDBSFSSDWEDD-NSHDSACASA-N
XLogP0.67
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (3R)-3-(ethylamino)piperidine-3-carboxylate
CID 93046626
tert-butyl 1-(carbamoylamino)cyclohexane-1-carboxylate
CID 143355257
(4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]azepane-4-carboxylic acid
CID 40630548
tert-butyl N-(3-ethylpiperidin-3-yl)carbamate
CID 84726051
tert-butyl N-[(3-ethylpiperidin-3-yl)methyl]carbamate
CID 84801669
tert-butyl 1-(5-azaspiro[2.4]heptan-2-ylmethylamino)cyclopropane-1-carboxylate
CID 141111780
tert-butyl 1-hydroxycyclopentane-1-carboxylate
CID 86626433
2-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-3-yl]acetic acid
CID 82379017
tert-butyl 1-piperazin-1-ylcyclohexane-1-carboxylate
CID 167739265
tert-butyl 3-propylpyrrolidine-3-carboxylate
CID 63144849
methyl (3R)-3-hydroxypiperidine-3-carboxylate
CID 86334558
methyl (3S)-3-methylpiperidine-3-carboxylate
CID 52644166

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S)-3-(methylamino)piperidine-3-carboxylate?
The IUPAC name of tert-butyl (3S)-3-(methylamino)piperidine-3-carboxylate (CID 52987650) is tert-butyl (3S)-3-(methylamino)piperidine-3-carboxylate.
What is the SMILES notation for tert-butyl (3S)-3-(methylamino)piperidine-3-carboxylate?
The canonical SMILES for tert-butyl (3S)-3-(methylamino)piperidine-3-carboxylate is CN[C@@]1(C(=O)OC(C)(C)C)CCCNC1.
What is the InChIKey of tert-butyl (3S)-3-(methylamino)piperidine-3-carboxylate?
The InChIKey is CAYDBSFSSDWEDD-NSHDSACASA-N. The full InChI is InChI=1S/C11H22N2O2/c1-10(2,3)15-9(14)11(12-4)6-5-7-13-8-11/h12-13H,5-8H2,1-4H3/t11-/m0/s1.
What are the key properties of tert-butyl (3S)-3-(methylamino)piperidine-3-carboxylate?
tert-butyl (3S)-3-(methylamino)piperidine-3-carboxylate has a molecular weight of 214.31 g/mol, XLogP of 0.67, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S)-3-(methylamino)piperidine-3-carboxylate is sourced from PubChem (CID 52987650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).