methyl 2-[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]acetate

C11H21NO2 — CID 121006441

IUPACmethyl 2-[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]acetate
SMILESCOC(=O)C[C@@H]1CCCN1CC(C)C
InChIInChI=1S/C11H21NO2/c1-9(2)8-12-6-4-5-10(12)7-11(13)14-3/h9-10H,4-8H2,1-3H3/t10-/m0/s1
InChIKeyQNXZEGAAAXJOGI-JTQLQIEISA-N
MW199.29 g/mol
LogP1.67
Rot. Bonds4

About methyl 2-[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]acetate

methyl 2-[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]acetate (PubChem CID 121006441) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is methyl 2-[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]acetate
PubChem CID121006441
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Namemethyl 2-[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]acetate
SMILESCOC(=O)C[C@@H]1CCCN1CC(C)C
InChIInChI=1S/C11H21NO2/c1-9(2)8-12-6-4-5-10(12)7-11(13)14-3/h9-10H,4-8H2,1-3H3/t10-/m0/s1
InChIKeyQNXZEGAAAXJOGI-JTQLQIEISA-N
XLogP1.67
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[1-(2,3-dihydroxypropyl)piperidin-2-yl]acetate
CID 82851116
1-[1-(2-methylpropyl)piperidin-2-yl]propan-2-one
CID 79537849
methyl 2-[1-[2-(2-methylpropylamino)-2-oxoethyl]piperidin-2-yl]acetate
CID 61360608
methyl 2-[1-(3-ethoxy-2-hydroxypropyl)piperidin-2-yl]acetate
CID 63932803
methyl 2-[1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]piperidin-2-yl]acetate
CID 62027896
2-methoxy-N-[[1-(2-methylpropyl)pyrrolidin-2-yl]methyl]ethanamine
CID 62581642
methyl 2-[1-[2-(methylamino)-2-oxoethyl]piperidin-2-yl]acetate
CID 62028286
2-methyl-N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]propan-1-amine
CID 103880736
methyl 2-[1-(4-cyanobutyl)piperidin-2-yl]acetate
CID 62028480
N-[[1-(2-methylpropyl)pyrrolidin-2-yl]methyl]propan-2-amine
CID 62579624
2-[1-(2-methylpropyl)pyrrolidin-2-yl]ethanol
CID 117028492
1-[1-(2-hydroxypropyl)pyrrolidin-2-yl]propan-2-one
CID 79545888

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]acetate?
The IUPAC name of methyl 2-[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]acetate (CID 121006441) is methyl 2-[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]acetate.
What is the SMILES notation for methyl 2-[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]acetate?
The canonical SMILES for methyl 2-[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]acetate is COC(=O)C[C@@H]1CCCN1CC(C)C.
What is the InChIKey of methyl 2-[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]acetate?
The InChIKey is QNXZEGAAAXJOGI-JTQLQIEISA-N. The full InChI is InChI=1S/C11H21NO2/c1-9(2)8-12-6-4-5-10(12)7-11(13)14-3/h9-10H,4-8H2,1-3H3/t10-/m0/s1.
What are the key properties of methyl 2-[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]acetate?
methyl 2-[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]acetate has a molecular weight of 199.29 g/mol, XLogP of 1.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]acetate is sourced from PubChem (CID 121006441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).