methyl (2R,5R)-5-methylpyrrolidine-2-carboxylate

C7H13NO2 — CID 45089980

IUPACmethyl (2R,5R)-5-methylpyrrolidine-2-carboxylate
SMILESCOC(=O)[C@H]1CC[C@@H](C)N1
InChIInChI=1S/C7H13NO2/c1-5-3-4-6(8-5)7(9)10-2/h5-6,8H,3-4H2,1-2H3/t5-,6-/m1/s1
InChIKeyFZBQCOBVXDOWIT-PHDIDXHHSA-N
MW143.19 g/mol
LogP0.30
Rot. Bonds1

About methyl (2R,5R)-5-methylpyrrolidine-2-carboxylate

methyl (2R,5R)-5-methylpyrrolidine-2-carboxylate (PubChem CID 45089980) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is methyl (2R,5R)-5-methylpyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R,5R)-5-methylpyrrolidine-2-carboxylate
PubChem CID45089980
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Namemethyl (2R,5R)-5-methylpyrrolidine-2-carboxylate
SMILESCOC(=O)[C@H]1CC[C@@H](C)N1
InChIInChI=1S/C7H13NO2/c1-5-3-4-6(8-5)7(9)10-2/h5-6,8H,3-4H2,1-2H3/t5-,6-/m1/s1
InChIKeyFZBQCOBVXDOWIT-PHDIDXHHSA-N
XLogP0.30
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl DL-prolinate
CID 94239
2,5-Pyrrolidinedicarboxylic acid
CID 428912
Methyl D-prolinate
CID 853476
L-Proline, ethyl ester
CID 79888
Ethyl pyrrolidine-2-carboxylate
CID 550673
methyl L-prolinate hydrochloride
CID 2733200
Methyl D-prolinate hydrochloride
CID 44629857
Methyl L-prolinate
CID 853477
ethyl (2R)-pyrrolidine-2-carboxylate
CID 11499235
Ethyl L-prolinate hydrochloride
CID 11679912
methyl (2S)-4,4-difluoropyrrolidine-2-carboxylate
CID 45082563
Methyl DL-prolinate hydrochloride
CID 12223519

Frequently Asked Questions

What is the IUPAC name of methyl (2R,5R)-5-methylpyrrolidine-2-carboxylate?
The IUPAC name of methyl (2R,5R)-5-methylpyrrolidine-2-carboxylate (CID 45089980) is methyl (2R,5R)-5-methylpyrrolidine-2-carboxylate.
What is the SMILES notation for methyl (2R,5R)-5-methylpyrrolidine-2-carboxylate?
The canonical SMILES for methyl (2R,5R)-5-methylpyrrolidine-2-carboxylate is COC(=O)[C@H]1CC[C@@H](C)N1.
What is the InChIKey of methyl (2R,5R)-5-methylpyrrolidine-2-carboxylate?
The InChIKey is FZBQCOBVXDOWIT-PHDIDXHHSA-N. The full InChI is InChI=1S/C7H13NO2/c1-5-3-4-6(8-5)7(9)10-2/h5-6,8H,3-4H2,1-2H3/t5-,6-/m1/s1.
What are the key properties of methyl (2R,5R)-5-methylpyrrolidine-2-carboxylate?
methyl (2R,5R)-5-methylpyrrolidine-2-carboxylate has a molecular weight of 143.19 g/mol, XLogP of 0.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,5R)-5-methylpyrrolidine-2-carboxylate is sourced from PubChem (CID 45089980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).