methyl (2S)-1-(3,3-dimethylazirin-2-yl)piperidine-2-carboxylate

C11H18N2O2 — CID 15546272

IUPACmethyl (2S)-1-(3,3-dimethylazirin-2-yl)piperidine-2-carboxylate
SMILESCOC(=O)[C@@H]1CCCCN1C1=NC1(C)C
InChIInChI=1S/C11H18N2O2/c1-11(2)10(12-11)13-7-5-4-6-8(13)9(14)15-3/h8H,4-7H2,1-3H3/t8-/m0/s1
InChIKeyVESMAKRYXDXSHG-QMMMGPOBSA-N
MW210.28 g/mol
LogP1.20
Rot. Bonds1

About methyl (2S)-1-(3,3-dimethylazirin-2-yl)piperidine-2-carboxylate

methyl (2S)-1-(3,3-dimethylazirin-2-yl)piperidine-2-carboxylate (PubChem CID 15546272) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is methyl (2S)-1-(3,3-dimethylazirin-2-yl)piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S)-1-(3,3-dimethylazirin-2-yl)piperidine-2-carboxylate
PubChem CID15546272
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Namemethyl (2S)-1-(3,3-dimethylazirin-2-yl)piperidine-2-carboxylate
SMILESCOC(=O)[C@@H]1CCCCN1C1=NC1(C)C
InChIInChI=1S/C11H18N2O2/c1-11(2)10(12-11)13-7-5-4-6-8(13)9(14)15-3/h8H,4-7H2,1-3H3/t8-/m0/s1
InChIKeyVESMAKRYXDXSHG-QMMMGPOBSA-N
XLogP1.20
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-(1-methyltetrazol-5-yl)piperidine-2-carboxylate
CID 115538236
methyl 1-(3-chloro-2-pyridinyl)piperidine-2-carboxylate
CID 115538344
methyl 1-(3-cyanopyrazin-2-yl)piperidine-2-carboxylate
CID 115534569
methyl 1-(5-bromopyrimidin-2-yl)piperidine-2-carboxylate
CID 115538351
methyl 1-[2-(2-methoxycarbonylpyrrolidin-1-yl)-3,4-dioxocyclobuten-1-yl]pyrrolidine-2-carboxylate
CID 139616358
methyl 1-(4,5-dimethyl-1,3-thiazol-2-yl)piperidine-2-carboxylate
CID 115538282
methyl 1-(4-methyl-1,3-thiazol-2-yl)piperidine-2-carboxylate
CID 115538300
methyl 1-pyrimidin-4-ylpiperidine-2-carboxylate
CID 115538188
methyl 1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-2-carboxylate
CID 115538219
methyl 1-(6-methoxypyrazin-2-yl)piperidine-2-carboxylate
CID 115538354
methyl 1-(6-methoxy-2-methylpyrimidin-4-yl)piperidine-2-carboxylate
CID 115538357
methyl 1-(3,5-difluoro-2-pyridinyl)piperidine-2-carboxylate
CID 112676429

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-1-(3,3-dimethylazirin-2-yl)piperidine-2-carboxylate?
The IUPAC name of methyl (2S)-1-(3,3-dimethylazirin-2-yl)piperidine-2-carboxylate (CID 15546272) is methyl (2S)-1-(3,3-dimethylazirin-2-yl)piperidine-2-carboxylate.
What is the SMILES notation for methyl (2S)-1-(3,3-dimethylazirin-2-yl)piperidine-2-carboxylate?
The canonical SMILES for methyl (2S)-1-(3,3-dimethylazirin-2-yl)piperidine-2-carboxylate is COC(=O)[C@@H]1CCCCN1C1=NC1(C)C.
What is the InChIKey of methyl (2S)-1-(3,3-dimethylazirin-2-yl)piperidine-2-carboxylate?
The InChIKey is VESMAKRYXDXSHG-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-11(2)10(12-11)13-7-5-4-6-8(13)9(14)15-3/h8H,4-7H2,1-3H3/t8-/m0/s1.
What are the key properties of methyl (2S)-1-(3,3-dimethylazirin-2-yl)piperidine-2-carboxylate?
methyl (2S)-1-(3,3-dimethylazirin-2-yl)piperidine-2-carboxylate has a molecular weight of 210.28 g/mol, XLogP of 1.20, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-1-(3,3-dimethylazirin-2-yl)piperidine-2-carboxylate is sourced from PubChem (CID 15546272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).