methyl (2R)-1-(2,3-dimethylbutanoyl)piperidine-2-carboxylate

C13H23NO3 — CID 79833510

IUPACmethyl (2R)-1-(2,3-dimethylbutanoyl)piperidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCCCN1C(=O)C(C)C(C)C
InChIInChI=1S/C13H23NO3/c1-9(2)10(3)12(15)14-8-6-5-7-11(14)13(16)17-4/h9-11H,5-8H2,1-4H3/t10?,11-/m1/s1
InChIKeyHJBINJIPRLODEA-RRKGBCIJSA-N
MW241.33 g/mol
LogP1.83
Rot. Bonds3

About methyl (2R)-1-(2,3-dimethylbutanoyl)piperidine-2-carboxylate

methyl (2R)-1-(2,3-dimethylbutanoyl)piperidine-2-carboxylate (PubChem CID 79833510) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is methyl (2R)-1-(2,3-dimethylbutanoyl)piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-1-(2,3-dimethylbutanoyl)piperidine-2-carboxylate
PubChem CID79833510
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Namemethyl (2R)-1-(2,3-dimethylbutanoyl)piperidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCCCN1C(=O)C(C)C(C)C
InChIInChI=1S/C13H23NO3/c1-9(2)10(3)12(15)14-8-6-5-7-11(14)13(16)17-4/h9-11H,5-8H2,1-4H3/t10?,11-/m1/s1
InChIKeyHJBINJIPRLODEA-RRKGBCIJSA-N
XLogP1.83
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 1-(2,3-dimethylbutanoyl)piperidine-2-carboxylate
CID 78958335
3-(2-methoxycarbonylpiperidin-1-yl)-2-methyl-3-oxopropanoic acid
CID 114897501
methyl 1-(2,2-difluoroacetyl)piperidine-2-carboxylate
CID 103514360
methyl (2S)-1-(2-methylpropanoyl)pyrrolidine-2-carboxylate
CID 15283061
methyl 1-(2,2-dicyclopropylacetyl)piperidine-2-carboxylate
CID 112745083
methyl (2R)-1-(2-methylpentanoyl)piperidine-2-carboxylate
CID 79832824
methyl 1-[2-methyl-3-(methylamino)propanoyl]piperidine-2-carboxylate
CID 79202285
methyl 1-(2-methylpentanoyl)piperidine-2-carboxylate
CID 115280159
methyl 1-(2-cyclopropylpropanoyl)pyrrolidine-2-carboxylate
CID 79507346
methyl 1-(2-aminobutanoyl)piperidine-2-carboxylate
CID 60938498
methyl (2R)-1-(cyclopentanecarbonyl)piperidine-2-carboxylate
CID 79833170
(2R)-1-(2,3-dimethylbutanoyl)pyrrolidine-2-carboxylic acid
CID 78955955

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-1-(2,3-dimethylbutanoyl)piperidine-2-carboxylate?
The IUPAC name of methyl (2R)-1-(2,3-dimethylbutanoyl)piperidine-2-carboxylate (CID 79833510) is methyl (2R)-1-(2,3-dimethylbutanoyl)piperidine-2-carboxylate.
What is the SMILES notation for methyl (2R)-1-(2,3-dimethylbutanoyl)piperidine-2-carboxylate?
The canonical SMILES for methyl (2R)-1-(2,3-dimethylbutanoyl)piperidine-2-carboxylate is COC(=O)[C@H]1CCCCN1C(=O)C(C)C(C)C.
What is the InChIKey of methyl (2R)-1-(2,3-dimethylbutanoyl)piperidine-2-carboxylate?
The InChIKey is HJBINJIPRLODEA-RRKGBCIJSA-N. The full InChI is InChI=1S/C13H23NO3/c1-9(2)10(3)12(15)14-8-6-5-7-11(14)13(16)17-4/h9-11H,5-8H2,1-4H3/t10?,11-/m1/s1.
What are the key properties of methyl (2R)-1-(2,3-dimethylbutanoyl)piperidine-2-carboxylate?
methyl (2R)-1-(2,3-dimethylbutanoyl)piperidine-2-carboxylate has a molecular weight of 241.33 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-1-(2,3-dimethylbutanoyl)piperidine-2-carboxylate is sourced from PubChem (CID 79833510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).