methyl 2-[(2S,5R)-5-methylpyrrolidin-2-yl]acetate

C8H15NO2 — CID 97300343

IUPACmethyl 2-[(2S,5R)-5-methylpyrrolidin-2-yl]acetate
SMILESCOC(=O)C[C@@H]1CC[C@@H](C)N1
InChIInChI=1S/C8H15NO2/c1-6-3-4-7(9-6)5-8(10)11-2/h6-7,9H,3-5H2,1-2H3/t6-,7+/m1/s1
InChIKeyAHVXTAPYXOYZKZ-RQJHMYQMSA-N
MW157.21 g/mol
LogP0.69
Rot. Bonds2

About methyl 2-[(2S,5R)-5-methylpyrrolidin-2-yl]acetate

methyl 2-[(2S,5R)-5-methylpyrrolidin-2-yl]acetate (PubChem CID 97300343) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is methyl 2-[(2S,5R)-5-methylpyrrolidin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(2S,5R)-5-methylpyrrolidin-2-yl]acetate
PubChem CID97300343
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Namemethyl 2-[(2S,5R)-5-methylpyrrolidin-2-yl]acetate
SMILESCOC(=O)C[C@@H]1CC[C@@H](C)N1
InChIInChI=1S/C8H15NO2/c1-6-3-4-7(9-6)5-8(10)11-2/h6-7,9H,3-5H2,1-2H3/t6-,7+/m1/s1
InChIKeyAHVXTAPYXOYZKZ-RQJHMYQMSA-N
XLogP0.69
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(6-methylpiperidin-3-yl)acetate
CID 142278548
methyl 2-(1,4-diazepan-5-yl)acetate
CID 23090340
methyl (2R,5R)-5-methylpyrrolidine-2-carboxylate
CID 45089980
methyl 2-[(2S)-5-oxopyrrolidin-2-yl]acetate
CID 10877378
methyl (2S,5R)-5-methylpyrrolidine-2-carboxylate;hydrochloride
CID 162341812
methyl 2-(azocan-2-yl)acetate
CID 86040521
ethane;methyl 2-piperidin-2-ylacetate
CID 168986004
methyl 2-(diazinan-3-yl)acetate
CID 91286316
methyl 2-(2-methylazetidin-3-yl)acetate
CID 171808682
methyl (2S,5R)-5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrrolidine-2-carboxylate
CID 57118426
methyl 2-(5-methylpyrrolidin-3-yl)acetate;hydrochloride
CID 166270818
methyl 2-[(2S)-6-oxo-2,3-dihydro-1H-pyridin-2-yl]acetate
CID 11665473

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2S,5R)-5-methylpyrrolidin-2-yl]acetate?
The IUPAC name of methyl 2-[(2S,5R)-5-methylpyrrolidin-2-yl]acetate (CID 97300343) is methyl 2-[(2S,5R)-5-methylpyrrolidin-2-yl]acetate.
What is the SMILES notation for methyl 2-[(2S,5R)-5-methylpyrrolidin-2-yl]acetate?
The canonical SMILES for methyl 2-[(2S,5R)-5-methylpyrrolidin-2-yl]acetate is COC(=O)C[C@@H]1CC[C@@H](C)N1.
What is the InChIKey of methyl 2-[(2S,5R)-5-methylpyrrolidin-2-yl]acetate?
The InChIKey is AHVXTAPYXOYZKZ-RQJHMYQMSA-N. The full InChI is InChI=1S/C8H15NO2/c1-6-3-4-7(9-6)5-8(10)11-2/h6-7,9H,3-5H2,1-2H3/t6-,7+/m1/s1.
What are the key properties of methyl 2-[(2S,5R)-5-methylpyrrolidin-2-yl]acetate?
methyl 2-[(2S,5R)-5-methylpyrrolidin-2-yl]acetate has a molecular weight of 157.21 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2S,5R)-5-methylpyrrolidin-2-yl]acetate is sourced from PubChem (CID 97300343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).