methyl 2-[(3S)-3-butyl-2-oxopyrrolidin-1-yl]acetate

C11H19NO3 — CID 58813108

IUPACmethyl 2-[(3S)-3-butyl-2-oxopyrrolidin-1-yl]acetate
SMILESCCCC[C@H]1CCN(CC(=O)OC)C1=O
InChIInChI=1S/C11H19NO3/c1-3-4-5-9-6-7-12(11(9)14)8-10(13)15-2/h9H,3-8H2,1-2H3/t9-/m0/s1
InChIKeyJITIPYYYXTVMFO-VIFPVBQESA-N
MW213.28 g/mol
LogP1.20
Rot. Bonds5

About methyl 2-[(3S)-3-butyl-2-oxopyrrolidin-1-yl]acetate

methyl 2-[(3S)-3-butyl-2-oxopyrrolidin-1-yl]acetate (PubChem CID 58813108) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is methyl 2-[(3S)-3-butyl-2-oxopyrrolidin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(3S)-3-butyl-2-oxopyrrolidin-1-yl]acetate
PubChem CID58813108
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Namemethyl 2-[(3S)-3-butyl-2-oxopyrrolidin-1-yl]acetate
SMILESCCCC[C@H]1CCN(CC(=O)OC)C1=O
InChIInChI=1S/C11H19NO3/c1-3-4-5-9-6-7-12(11(9)14)8-10(13)15-2/h9H,3-8H2,1-2H3/t9-/m0/s1
InChIKeyJITIPYYYXTVMFO-VIFPVBQESA-N
XLogP1.20
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl 2-[4-(2,2-difluoropropyl)-2-oxopyrrolidin-1-yl]butanoate
CID 58718590
Ethyl 2-[4-(2-fluoro-2-methylpropyl)-2-oxopyrrolidin-1-yl]butanoate
CID 58718592
Ethyl 2-[4-(2,2-difluoropropyl)-2-oxopyrrolidin-1-yl]butanoate
CID 58718597
Methyl 2-[4-(2-fluoro-2-methylpropyl)-2-oxopyrrolidin-1-yl]butanoate
CID 58718599
Sarcosine, N-(3-cyclopentylpropionyl)-, ethyl ester
CID 55003289
Sarcosine, N-(cyclopentylcarbonyl)-, ethyl ester
CID 61597736
Sarcosine, N-(cyclopentylcarbonyl)-, propyl ester
CID 91692141
Sarcosine, N-(cyclopentylcarbonyl)-, pentyl ester
CID 91692142
Sarcosine, N-(cyclohexylcarbonyl)-, propyl ester
CID 91692154
Sarcosine, N-(3-cyclopentylpropionyl)-, propyl ester
CID 91692218
Sarcosine, N-(3-cyclopentylpropionyl)-, butyl ester
CID 91692221
Sarcosine, N-(3-cyclopentylpropionyl)-, isobutyl ester
CID 91692222

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3S)-3-butyl-2-oxopyrrolidin-1-yl]acetate?
The IUPAC name of methyl 2-[(3S)-3-butyl-2-oxopyrrolidin-1-yl]acetate (CID 58813108) is methyl 2-[(3S)-3-butyl-2-oxopyrrolidin-1-yl]acetate.
What is the SMILES notation for methyl 2-[(3S)-3-butyl-2-oxopyrrolidin-1-yl]acetate?
The canonical SMILES for methyl 2-[(3S)-3-butyl-2-oxopyrrolidin-1-yl]acetate is CCCC[C@H]1CCN(CC(=O)OC)C1=O.
What is the InChIKey of methyl 2-[(3S)-3-butyl-2-oxopyrrolidin-1-yl]acetate?
The InChIKey is JITIPYYYXTVMFO-VIFPVBQESA-N. The full InChI is InChI=1S/C11H19NO3/c1-3-4-5-9-6-7-12(11(9)14)8-10(13)15-2/h9H,3-8H2,1-2H3/t9-/m0/s1.
What are the key properties of methyl 2-[(3S)-3-butyl-2-oxopyrrolidin-1-yl]acetate?
methyl 2-[(3S)-3-butyl-2-oxopyrrolidin-1-yl]acetate has a molecular weight of 213.28 g/mol, XLogP of 1.20, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3S)-3-butyl-2-oxopyrrolidin-1-yl]acetate is sourced from PubChem (CID 58813108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).