methyl 5-amino-1-methyl-6-oxopiperidine-2-carboxylate

C8H14N2O3 — CID 83817545

IUPACmethyl 5-amino-1-methyl-6-oxopiperidine-2-carboxylate
SMILESCOC(=O)C1CCC(N)C(=O)N1C
InChIInChI=1S/C8H14N2O3/c1-10-6(8(12)13-2)4-3-5(9)7(10)11/h5-6H,3-4,9H2,1-2H3
InChIKeyLXPPYELQBIJXFK-UHFFFAOYSA-N
MW186.21 g/mol
LogP-0.89
Rot. Bonds1

About methyl 5-amino-1-methyl-6-oxopiperidine-2-carboxylate

methyl 5-amino-1-methyl-6-oxopiperidine-2-carboxylate (PubChem CID 83817545) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is methyl 5-amino-1-methyl-6-oxopiperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-1-methyl-6-oxopiperidine-2-carboxylate
PubChem CID83817545
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Namemethyl 5-amino-1-methyl-6-oxopiperidine-2-carboxylate
SMILESCOC(=O)C1CCC(N)C(=O)N1C
InChIInChI=1S/C8H14N2O3/c1-10-6(8(12)13-2)4-3-5(9)7(10)11/h5-6H,3-4,9H2,1-2H3
InChIKeyLXPPYELQBIJXFK-UHFFFAOYSA-N
XLogP-0.89
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 5-0.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (3S,6R,8aS)-6-amino-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carboxylate
CID 124661962
methyl (2S)-1,4-dimethyl-5-oxopyrrolidine-2-carboxylate
CID 163762607
4-amino-1-methyl-5-oxopyrrolidine-2-carboxylic acid
CID 83815578
methyl 2,3,5,6,7,8-hexahydro-1H-pyrrolizine-3-carboxylate
CID 45115998
methyl (5S,8S,10aR)-5-amino-3-ethyl-6-oxo-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocine-8-carboxylate
CID 161023347
methyl 1-methyl-5-oxopiperidine-2-carboxylate
CID 131405839
methyl (2S,5S)-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylate
CID 11240720
methyl 4-amino-1,5-dioxo-4,7,8,9,10,10a-hexahydro-3H-pyrido[2,1-c][1,4]oxazepine-7-carboxylate
CID 20670311
methyl (3S,11aS)-5-oxo-1,2,3,6,7,8,9,10,11,11a-decahydropyrrolo[1,2-a]azonine-3-carboxylate
CID 168982403
dimethyl (1R,2S,4R,5R)-8-methyl-3-oxo-8-azabicyclo[3.2.1]octane-2,4-dicarboxylate
CID 98060994
methyl 1-methylpyrrolidine-2-carboxylate
CID 529062
methyl (2S)-1-hydroxypyrrolidine-2-carboxylate
CID 11240554

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-1-methyl-6-oxopiperidine-2-carboxylate?
The IUPAC name of methyl 5-amino-1-methyl-6-oxopiperidine-2-carboxylate (CID 83817545) is methyl 5-amino-1-methyl-6-oxopiperidine-2-carboxylate.
What is the SMILES notation for methyl 5-amino-1-methyl-6-oxopiperidine-2-carboxylate?
The canonical SMILES for methyl 5-amino-1-methyl-6-oxopiperidine-2-carboxylate is COC(=O)C1CCC(N)C(=O)N1C.
What is the InChIKey of methyl 5-amino-1-methyl-6-oxopiperidine-2-carboxylate?
The InChIKey is LXPPYELQBIJXFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3/c1-10-6(8(12)13-2)4-3-5(9)7(10)11/h5-6H,3-4,9H2,1-2H3.
What are the key properties of methyl 5-amino-1-methyl-6-oxopiperidine-2-carboxylate?
methyl 5-amino-1-methyl-6-oxopiperidine-2-carboxylate has a molecular weight of 186.21 g/mol, XLogP of -0.89, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-1-methyl-6-oxopiperidine-2-carboxylate is sourced from PubChem (CID 83817545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).