ethyl (2R,6S)-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidine-2-carboxylate

C14H26N2O4 — CID 124671359

IUPACethyl (2R,6S)-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidine-2-carboxylate
SMILESCCOC(=O)[C@H]1CCC[C@@H](CNC(=O)OC(C)(C)C)N1
InChIInChI=1S/C14H26N2O4/c1-5-19-12(17)11-8-6-7-10(16-11)9-15-13(18)20-14(2,3)4/h10-11,16H,5-9H2,1-4H3,(H,15,18)/t10-,11+/m0/s1
InChIKeyOOMMQLAPJVAZMV-WDEREUQCSA-N
MW286.37 g/mol
LogP1.58
Rot. Bonds4

About ethyl (2R,6S)-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidine-2-carboxylate

ethyl (2R,6S)-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidine-2-carboxylate (PubChem CID 124671359) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is ethyl (2R,6S)-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidine-2-carboxylate.

Molecular Properties

Compound Nameethyl (2R,6S)-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidine-2-carboxylate
PubChem CID124671359
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Nameethyl (2R,6S)-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidine-2-carboxylate
SMILESCCOC(=O)[C@H]1CCC[C@@H](CNC(=O)OC(C)(C)C)N1
InChIInChI=1S/C14H26N2O4/c1-5-19-12(17)11-8-6-7-10(16-11)9-15-13(18)20-14(2,3)4/h10-11,16H,5-9H2,1-4H3,(H,15,18)/t10-,11+/m0/s1
InChIKeyOOMMQLAPJVAZMV-WDEREUQCSA-N
XLogP1.58
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-(cyclobutylmethyl)carbamate
CID 23087339
tert-butyl N-(aziridin-2-ylmethyl)carbamate
CID 87499538
tert-butyl N-[[(2S,5R)-5-[2-(methylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]carbamate
CID 66509361
ethyl 5-(2,2-dimethylpropyl)pyrrolidine-2-carboxylate
CID 123893678
cis-ethyl (1S,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate
CID 53393786
tert-butyl N-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]methyl]carbamate
CID 22668023
diethyl pyrrolidine-2,5-dicarboxylate
CID 13228037
ethyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 15933116
ethyl 2-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclobutylidene]acetate
CID 121208184
tert-butyl N-[[(2S,4R)-4-ethoxypyrrolidin-2-yl]methyl]carbamate
CID 165444188
tert-butyl N-(pyrrolidin-2-ylmethyl)carbamate;methyl formate
CID 142104824
ethyl 5-(hydroxymethyl)pyrrolidine-2-carboxylate
CID 117273935

Frequently Asked Questions

What is the IUPAC name of ethyl (2R,6S)-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidine-2-carboxylate?
The IUPAC name of ethyl (2R,6S)-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidine-2-carboxylate (CID 124671359) is ethyl (2R,6S)-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidine-2-carboxylate.
What is the SMILES notation for ethyl (2R,6S)-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidine-2-carboxylate?
The canonical SMILES for ethyl (2R,6S)-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidine-2-carboxylate is CCOC(=O)[C@H]1CCC[C@@H](CNC(=O)OC(C)(C)C)N1.
What is the InChIKey of ethyl (2R,6S)-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidine-2-carboxylate?
The InChIKey is OOMMQLAPJVAZMV-WDEREUQCSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-5-19-12(17)11-8-6-7-10(16-11)9-15-13(18)20-14(2,3)4/h10-11,16H,5-9H2,1-4H3,(H,15,18)/t10-,11+/m0/s1.
What are the key properties of ethyl (2R,6S)-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidine-2-carboxylate?
ethyl (2R,6S)-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidine-2-carboxylate has a molecular weight of 286.37 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R,6S)-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidine-2-carboxylate is sourced from PubChem (CID 124671359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).