cyclopentanecarboxylic acid;methyl (2R)-1-methylpyrrolidine-2-carboxylate

C13H23NO4 — CID 165072023

IUPACcyclopentanecarboxylic acid;methyl (2R)-1-methylpyrrolidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCCN1C.O=C(O)C1CCCC1
InChIInChI=1S/C7H13NO2.C6H10O2/c1-8-5-3-4-6(8)7(9)10-2;7-6(8)5-3-1-2-4-5/h6H,3-5H2,1-2H3;5H,1-4H2,(H,7,8)/t6-;/m1./s1
InChIKeySXSJQNNVQQLRNN-FYZOBXCZSA-N
MW257.33 g/mol
LogP1.51
Rot. Bonds2

About cyclopentanecarboxylic acid;methyl (2R)-1-methylpyrrolidine-2-carboxylate

cyclopentanecarboxylic acid;methyl (2R)-1-methylpyrrolidine-2-carboxylate (PubChem CID 165072023) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is cyclopentanecarboxylic acid;methyl (2R)-1-methylpyrrolidine-2-carboxylate.

Molecular Properties

Compound Namecyclopentanecarboxylic acid;methyl (2R)-1-methylpyrrolidine-2-carboxylate
PubChem CID165072023
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Namecyclopentanecarboxylic acid;methyl (2R)-1-methylpyrrolidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCCN1C.O=C(O)C1CCCC1
InChIInChI=1S/C7H13NO2.C6H10O2/c1-8-5-3-4-6(8)7(9)10-2;7-6(8)5-3-1-2-4-5/h6H,3-5H2,1-2H3;5H,1-4H2,(H,7,8)/t6-;/m1./s1
InChIKeySXSJQNNVQQLRNN-FYZOBXCZSA-N
XLogP1.51
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-methylpyrrolidine-2-carboxylate
CID 529062
cyclopentanecarboxylic acid;methane;methyl cyclopentanecarboxylate
CID 162270399
(2S)-1-methylpyrrolidine-2-carboxylic acid
CID 158548617
1-(1-methylpyrrolidine-2-carbonyl)piperidine-4-carboxylic acid
CID 110837392
hydron;1-methylpiperidine-2-carboxylic acid;chloride
CID 44558462
1-methylpyrrolidine-2-carboxylic acid;hydrate
CID 2849411
cyclopentanecarboxylic acid;methyl cyclopentanecarboxylate;bis(sulfur trioxide)
CID 160909551
methyl (2R)-1-(cyclopentanecarbonyl)piperidine-2-carboxylate
CID 79833170
1-(1-methylpyrrolidine-2-carbonyl)piperidine-3-carboxylic acid
CID 110837391
(2R)-1-methylpiperidine-2-carboxylic acid;1-[(2R)-1-methylpiperidin-2-yl]ethanone
CID 160589871
methyl (2R)-1-aminopiperidine-2-carboxylate
CID 90433668
1-(2-methoxycarbonylpyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 61199018

Frequently Asked Questions

What is the IUPAC name of cyclopentanecarboxylic acid;methyl (2R)-1-methylpyrrolidine-2-carboxylate?
The IUPAC name of cyclopentanecarboxylic acid;methyl (2R)-1-methylpyrrolidine-2-carboxylate (CID 165072023) is cyclopentanecarboxylic acid;methyl (2R)-1-methylpyrrolidine-2-carboxylate.
What is the SMILES notation for cyclopentanecarboxylic acid;methyl (2R)-1-methylpyrrolidine-2-carboxylate?
The canonical SMILES for cyclopentanecarboxylic acid;methyl (2R)-1-methylpyrrolidine-2-carboxylate is COC(=O)[C@H]1CCCN1C.O=C(O)C1CCCC1.
What is the InChIKey of cyclopentanecarboxylic acid;methyl (2R)-1-methylpyrrolidine-2-carboxylate?
The InChIKey is SXSJQNNVQQLRNN-FYZOBXCZSA-N. The full InChI is InChI=1S/C7H13NO2.C6H10O2/c1-8-5-3-4-6(8)7(9)10-2;7-6(8)5-3-1-2-4-5/h6H,3-5H2,1-2H3;5H,1-4H2,(H,7,8)/t6-;/m1./s1.
What are the key properties of cyclopentanecarboxylic acid;methyl (2R)-1-methylpyrrolidine-2-carboxylate?
cyclopentanecarboxylic acid;methyl (2R)-1-methylpyrrolidine-2-carboxylate has a molecular weight of 257.33 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentanecarboxylic acid;methyl (2R)-1-methylpyrrolidine-2-carboxylate is sourced from PubChem (CID 165072023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).