methyl (2R)-1-(3-methyloxolane-2-carbonyl)piperidine-2-carboxylate

C13H21NO4 — CID 81463255

IUPACmethyl (2R)-1-(3-methyloxolane-2-carbonyl)piperidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCCCN1C(=O)C1OCCC1C
InChIInChI=1S/C13H21NO4/c1-9-6-8-18-11(9)12(15)14-7-4-3-5-10(14)13(16)17-2/h9-11H,3-8H2,1-2H3/t9?,10-,11?/m1/s1
InChIKeyCNGFWRDLDQFSDY-HSOILSAZSA-N
MW255.31 g/mol
LogP0.97
Rot. Bonds2

About methyl (2R)-1-(3-methyloxolane-2-carbonyl)piperidine-2-carboxylate

methyl (2R)-1-(3-methyloxolane-2-carbonyl)piperidine-2-carboxylate (PubChem CID 81463255) has the molecular formula C13H21NO4 and a molecular weight of 255.31 g/mol. Its IUPAC name is methyl (2R)-1-(3-methyloxolane-2-carbonyl)piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-1-(3-methyloxolane-2-carbonyl)piperidine-2-carboxylate
PubChem CID81463255
Molecular FormulaC13H21NO4
Molecular Weight255.31 g/mol
Exact Mass255.15
IUPAC Namemethyl (2R)-1-(3-methyloxolane-2-carbonyl)piperidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCCCN1C(=O)C1OCCC1C
InChIInChI=1S/C13H21NO4/c1-9-6-8-18-11(9)12(15)14-7-4-3-5-10(14)13(16)17-2/h9-11H,3-8H2,1-2H3/t9?,10-,11?/m1/s1
InChIKeyCNGFWRDLDQFSDY-HSOILSAZSA-N
XLogP0.97
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2R)-1-(cyclopentanecarbonyl)piperidine-2-carboxylate
CID 79833170
methyl (2R)-1-(cyclopropanecarbonyl)piperidine-2-carboxylate
CID 79833593
methyl 1-[1-(cyclopropanecarbonyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate
CID 43623815
methyl (2R,3S)-3-methyloxolane-2-carboxylate
CID 131847229
methyl 1-(4-hydroxycyclohexanecarbonyl)pyrrolidine-2-carboxylate
CID 112531508
methyl 1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidine-2-carboxylate
CID 79165530
3-methyl-1-(3-methyloxolane-2-carbonyl)piperidine-2-carboxylic acid
CID 107069717
methyl (2R)-1-[2-(oxolan-2-yl)acetyl]piperidine-2-carboxylate
CID 79832834
methyl (2S)-1-(azetidine-3-carbonyl)pyrrolidine-2-carboxylate
CID 174918587
methyl 1-(1,1-dioxothiolane-3-carbonyl)pyrrolidine-2-carboxylate
CID 43410317
methyl 1-(2,4,5-trimethyloxolane-3-carbonyl)pyrrolidine-2-carboxylate
CID 65160003
methyl 1-(4-methylpiperidine-2-carbonyl)piperidine-2-carboxylate
CID 114423341

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-1-(3-methyloxolane-2-carbonyl)piperidine-2-carboxylate?
The IUPAC name of methyl (2R)-1-(3-methyloxolane-2-carbonyl)piperidine-2-carboxylate (CID 81463255) is methyl (2R)-1-(3-methyloxolane-2-carbonyl)piperidine-2-carboxylate.
What is the SMILES notation for methyl (2R)-1-(3-methyloxolane-2-carbonyl)piperidine-2-carboxylate?
The canonical SMILES for methyl (2R)-1-(3-methyloxolane-2-carbonyl)piperidine-2-carboxylate is COC(=O)[C@H]1CCCCN1C(=O)C1OCCC1C.
What is the InChIKey of methyl (2R)-1-(3-methyloxolane-2-carbonyl)piperidine-2-carboxylate?
The InChIKey is CNGFWRDLDQFSDY-HSOILSAZSA-N. The full InChI is InChI=1S/C13H21NO4/c1-9-6-8-18-11(9)12(15)14-7-4-3-5-10(14)13(16)17-2/h9-11H,3-8H2,1-2H3/t9?,10-,11?/m1/s1.
What are the key properties of methyl (2R)-1-(3-methyloxolane-2-carbonyl)piperidine-2-carboxylate?
methyl (2R)-1-(3-methyloxolane-2-carbonyl)piperidine-2-carboxylate has a molecular weight of 255.31 g/mol, XLogP of 0.97, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-1-(3-methyloxolane-2-carbonyl)piperidine-2-carboxylate is sourced from PubChem (CID 81463255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).