tert-butyl N-[(6S)-6-methyl-2-oxopiperidin-3-yl]carbamate

C11H20N2O3 — CID 155351163

IUPACtert-butyl N-[(6S)-6-methyl-2-oxopiperidin-3-yl]carbamate
SMILESC[C@H]1CCC(NC(=O)OC(C)(C)C)C(=O)N1
InChIInChI=1S/C11H20N2O3/c1-7-5-6-8(9(14)12-7)13-10(15)16-11(2,3)4/h7-8H,5-6H2,1-4H3,(H,12,14)(H,13,15)/t7-,8?/m0/s1
InChIKeyZASMOXVDGIVEAY-JAMMHHFISA-N
MW228.29 g/mol
LogP1.18
Rot. Bonds1

About tert-butyl N-[(6S)-6-methyl-2-oxopiperidin-3-yl]carbamate

tert-butyl N-[(6S)-6-methyl-2-oxopiperidin-3-yl]carbamate (PubChem CID 155351163) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is tert-butyl N-[(6S)-6-methyl-2-oxopiperidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(6S)-6-methyl-2-oxopiperidin-3-yl]carbamate
PubChem CID155351163
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Nametert-butyl N-[(6S)-6-methyl-2-oxopiperidin-3-yl]carbamate
SMILESC[C@H]1CCC(NC(=O)OC(C)(C)C)C(=O)N1
InChIInChI=1S/C11H20N2O3/c1-7-5-6-8(9(14)12-7)13-10(15)16-11(2,3)4/h7-8H,5-6H2,1-4H3,(H,12,14)(H,13,15)/t7-,8?/m0/s1
InChIKeyZASMOXVDGIVEAY-JAMMHHFISA-N
XLogP1.18
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(3R)-2-oxopyrrolidin-3-yl]carbamate
CID 10774403
tert-butyl N-[(3R,7R)-7-methyl-2-oxoazepan-3-yl]carbamate
CID 166571691
tert-butyl N-[(3R)-2-oxo-6-propan-2-ylazepan-3-yl]carbamate
CID 23657246
tert-butyl N-[(3S,6R)-6-hydroxy-2-oxoazocan-3-yl]carbamate
CID 102263285
tert-butyl N-(6,6-dimethyl-2-oxopiperidin-3-yl)carbamate
CID 166816959
tert-butyl N-[(3S,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2-oxoazepan-3-yl]carbamate
CID 11728063
tert-butyl N-(7-oxo-6-azaspiro[4.6]undecan-8-yl)carbamate
CID 54349001
tert-butyl N-[(3R)-6-benzyl-2-oxoazepan-3-yl]carbamate
CID 23657247
tert-butyl N-(5-oxo-1,4-thiazocan-6-yl)carbamate;molecular hydrogen
CID 143233012
tert-butyl N-[(3S)-2-oxooxolan-3-yl]carbamate
CID 688318
tert-butyl N-(4-oxopyrrolidin-3-yl)carbamate
CID 84669461
tert-butyl N-[(4Z)-8-oxo-2,3,6,7-tetrahydro-1H-azocin-7-yl]carbamate
CID 141194832

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(6S)-6-methyl-2-oxopiperidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(6S)-6-methyl-2-oxopiperidin-3-yl]carbamate (CID 155351163) is tert-butyl N-[(6S)-6-methyl-2-oxopiperidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(6S)-6-methyl-2-oxopiperidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(6S)-6-methyl-2-oxopiperidin-3-yl]carbamate is C[C@H]1CCC(NC(=O)OC(C)(C)C)C(=O)N1.
What is the InChIKey of tert-butyl N-[(6S)-6-methyl-2-oxopiperidin-3-yl]carbamate?
The InChIKey is ZASMOXVDGIVEAY-JAMMHHFISA-N. The full InChI is InChI=1S/C11H20N2O3/c1-7-5-6-8(9(14)12-7)13-10(15)16-11(2,3)4/h7-8H,5-6H2,1-4H3,(H,12,14)(H,13,15)/t7-,8?/m0/s1.
What are the key properties of tert-butyl N-[(6S)-6-methyl-2-oxopiperidin-3-yl]carbamate?
tert-butyl N-[(6S)-6-methyl-2-oxopiperidin-3-yl]carbamate has a molecular weight of 228.29 g/mol, XLogP of 1.18, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(6S)-6-methyl-2-oxopiperidin-3-yl]carbamate is sourced from PubChem (CID 155351163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).