methyl (3R,5S)-5-pyrrolidin-1-ylpiperidine-3-carboxylate

C11H20N2O2 — CID 124547363

IUPACmethyl (3R,5S)-5-pyrrolidin-1-ylpiperidine-3-carboxylate
SMILESCOC(=O)[C@H]1CNC[C@@H](N2CCCC2)C1
InChIInChI=1S/C11H20N2O2/c1-15-11(14)9-6-10(8-12-7-9)13-4-2-3-5-13/h9-10,12H,2-8H2,1H3/t9-,10+/m1/s1
InChIKeyIIDSVJFGGREHFW-ZJUUUORDSA-N
MW212.29 g/mol
LogP0.23
Rot. Bonds2

About methyl (3R,5S)-5-pyrrolidin-1-ylpiperidine-3-carboxylate

methyl (3R,5S)-5-pyrrolidin-1-ylpiperidine-3-carboxylate (PubChem CID 124547363) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is methyl (3R,5S)-5-pyrrolidin-1-ylpiperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl (3R,5S)-5-pyrrolidin-1-ylpiperidine-3-carboxylate
PubChem CID124547363
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Namemethyl (3R,5S)-5-pyrrolidin-1-ylpiperidine-3-carboxylate
SMILESCOC(=O)[C@H]1CNC[C@@H](N2CCCC2)C1
InChIInChI=1S/C11H20N2O2/c1-15-11(14)9-6-10(8-12-7-9)13-4-2-3-5-13/h9-10,12H,2-8H2,1H3/t9-,10+/m1/s1
InChIKeyIIDSVJFGGREHFW-ZJUUUORDSA-N
XLogP0.23
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

dimethyl (3R,5R)-piperidine-3,5-dicarboxylate
CID 69137212
(3S,5S)-5-(azetidin-1-yl)piperidine-3-carboxylic acid
CID 125457412
methyl (3R)-5-methylpiperidine-3-carboxylate
CID 178133263
methyl (3S,5S)-5-methoxypiperidine-3-carboxylate
CID 124509731
methyl 5-methylpiperidine-3-carboxylate;hydrochloride
CID 75464874
3-methyl-5-pyrrolidin-1-ylpiperidine
CID 79905165
tert-butyl (3S,5S)-5-[(3S,5R)-3,5-dimethylpiperidin-1-yl]piperidine-3-carboxylate
CID 125458007
methyl 5-tert-butylpiperidine-3-carboxylate;hydrochloride
CID 167994766
methyl 1-piperidin-4-ylpiperidine-3-carboxylate
CID 44607682
methyl (1S,5R)-3-azabicyclo[3.3.1]nonane-7-carboxylate;hydrochloride
CID 154814550
methyl pyrrolidine-3-carboxylate
CID 4114360
methyl (2S)-1-(azetidine-3-carbonyl)pyrrolidine-2-carboxylate
CID 174918587

Frequently Asked Questions

What is the IUPAC name of methyl (3R,5S)-5-pyrrolidin-1-ylpiperidine-3-carboxylate?
The IUPAC name of methyl (3R,5S)-5-pyrrolidin-1-ylpiperidine-3-carboxylate (CID 124547363) is methyl (3R,5S)-5-pyrrolidin-1-ylpiperidine-3-carboxylate.
What is the SMILES notation for methyl (3R,5S)-5-pyrrolidin-1-ylpiperidine-3-carboxylate?
The canonical SMILES for methyl (3R,5S)-5-pyrrolidin-1-ylpiperidine-3-carboxylate is COC(=O)[C@H]1CNC[C@@H](N2CCCC2)C1.
What is the InChIKey of methyl (3R,5S)-5-pyrrolidin-1-ylpiperidine-3-carboxylate?
The InChIKey is IIDSVJFGGREHFW-ZJUUUORDSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-15-11(14)9-6-10(8-12-7-9)13-4-2-3-5-13/h9-10,12H,2-8H2,1H3/t9-,10+/m1/s1.
What are the key properties of methyl (3R,5S)-5-pyrrolidin-1-ylpiperidine-3-carboxylate?
methyl (3R,5S)-5-pyrrolidin-1-ylpiperidine-3-carboxylate has a molecular weight of 212.29 g/mol, XLogP of 0.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R,5S)-5-pyrrolidin-1-ylpiperidine-3-carboxylate is sourced from PubChem (CID 124547363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).