2-O-methyl 1-O-(2-methylpropyl) (2R)-piperidine-1,2-dicarboxylate

C12H21NO4 — CID 115536150

IUPAC2-O-methyl 1-O-(2-methylpropyl) (2R)-piperidine-1,2-dicarboxylate
SMILESCOC(=O)[C@H]1CCCCN1C(=O)OCC(C)C
InChIInChI=1S/C12H21NO4/c1-9(2)8-17-12(15)13-7-5-4-6-10(13)11(14)16-3/h9-10H,4-8H2,1-3H3/t10-/m1/s1
InChIKeyGXBKKPQBJNDKKX-SNVBAGLBSA-N
MW243.30 g/mol
LogP1.81
Rot. Bonds3

About 2-O-methyl 1-O-(2-methylpropyl) (2R)-piperidine-1,2-dicarboxylate

2-O-methyl 1-O-(2-methylpropyl) (2R)-piperidine-1,2-dicarboxylate (PubChem CID 115536150) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is 2-O-methyl 1-O-(2-methylpropyl) (2R)-piperidine-1,2-dicarboxylate.

Molecular Properties

Compound Name2-O-methyl 1-O-(2-methylpropyl) (2R)-piperidine-1,2-dicarboxylate
PubChem CID115536150
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Name2-O-methyl 1-O-(2-methylpropyl) (2R)-piperidine-1,2-dicarboxylate
SMILESCOC(=O)[C@H]1CCCCN1C(=O)OCC(C)C
InChIInChI=1S/C12H21NO4/c1-9(2)8-17-12(15)13-7-5-4-6-10(13)11(14)16-3/h9-10H,4-8H2,1-3H3/t10-/m1/s1
InChIKeyGXBKKPQBJNDKKX-SNVBAGLBSA-N
XLogP1.81
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methylpropoxycarbonyl)piperidine-2-carboxylic acid
CID 43176408
2-O-methyl 1-O-(2-methylbutyl) (2S)-pyrrolidine-1,2-dicarboxylate
CID 71175306
2-O-tert-butyl 1-O-(2-methylpropyl) (2R)-pyrrolidine-1,2-dicarboxylate
CID 115536127
sodium tris[[(2S)-1-(2-methylpropoxycarbonyl)pyrrolidine-2-carbonyl]oxy]boranuide
CID 131719405
1-O-benzyl 2-O-(2-methylpropyl) piperidine-1,2-dicarboxylate
CID 100995684
2-methylpropyl (2S)-2-(cyclopropylcarbamoyl)pyrrolidine-1-carboxylate
CID 6545801
2-O-(2-methylpropyl) 1-O-(2,2,2-trichloroethyl) pyrrolidine-1,2-dicarboxylate
CID 6425755
2-O-(2-methylpropyl) 1-O-(2,2,2-trichloroethyl) (2S)-pyrrolidine-1,2-dicarboxylate
CID 20837566
2-O-dodecyl 1-O-(2-methylpropyl) pyrrolidine-1,2-dicarboxylate
CID 6424623
1-O-(2-methylpropyl) 2-O-octadecyl (2S)-pyrrolidine-1,2-dicarboxylate
CID 20837289
(2S)-2-[[(2S)-1-[(2S)-1-(2-methylpropoxycarbonyl)pyrrolidine-2-carbonyl]piperidine-2-carbonyl]amino]propanoic acid
CID 134490483
methyl (2R)-1-(2,3-dimethylbutanoyl)piperidine-2-carboxylate
CID 79833510

Frequently Asked Questions

What is the IUPAC name of 2-O-methyl 1-O-(2-methylpropyl) (2R)-piperidine-1,2-dicarboxylate?
The IUPAC name of 2-O-methyl 1-O-(2-methylpropyl) (2R)-piperidine-1,2-dicarboxylate (CID 115536150) is 2-O-methyl 1-O-(2-methylpropyl) (2R)-piperidine-1,2-dicarboxylate.
What is the SMILES notation for 2-O-methyl 1-O-(2-methylpropyl) (2R)-piperidine-1,2-dicarboxylate?
The canonical SMILES for 2-O-methyl 1-O-(2-methylpropyl) (2R)-piperidine-1,2-dicarboxylate is COC(=O)[C@H]1CCCCN1C(=O)OCC(C)C.
What is the InChIKey of 2-O-methyl 1-O-(2-methylpropyl) (2R)-piperidine-1,2-dicarboxylate?
The InChIKey is GXBKKPQBJNDKKX-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H21NO4/c1-9(2)8-17-12(15)13-7-5-4-6-10(13)11(14)16-3/h9-10H,4-8H2,1-3H3/t10-/m1/s1.
What are the key properties of 2-O-methyl 1-O-(2-methylpropyl) (2R)-piperidine-1,2-dicarboxylate?
2-O-methyl 1-O-(2-methylpropyl) (2R)-piperidine-1,2-dicarboxylate has a molecular weight of 243.30 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-O-methyl 1-O-(2-methylpropyl) (2R)-piperidine-1,2-dicarboxylate is sourced from PubChem (CID 115536150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).