methyl 3-(3-amino-2-oxopyrrolidin-1-yl)benzoate

C12H14N2O3 — CID 142835055

IUPACmethyl 3-(3-amino-2-oxopyrrolidin-1-yl)benzoate
SMILESCOC(=O)c1cccc(N2CCC(N)C2=O)c1
InChIInChI=1S/C12H14N2O3/c1-17-12(16)8-3-2-4-9(7-8)14-6-5-10(13)11(14)15/h2-4,7,10H,5-6,13H2,1H3
InChIKeyYALSZSQHWCROEM-UHFFFAOYSA-N
MW234.25 g/mol
LogP0.54
Rot. Bonds2

About methyl 3-(3-amino-2-oxopyrrolidin-1-yl)benzoate

methyl 3-(3-amino-2-oxopyrrolidin-1-yl)benzoate (PubChem CID 142835055) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is methyl 3-(3-amino-2-oxopyrrolidin-1-yl)benzoate.

Molecular Properties

Compound Namemethyl 3-(3-amino-2-oxopyrrolidin-1-yl)benzoate
PubChem CID142835055
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Namemethyl 3-(3-amino-2-oxopyrrolidin-1-yl)benzoate
SMILESCOC(=O)c1cccc(N2CCC(N)C2=O)c1
InChIInChI=1S/C12H14N2O3/c1-17-12(16)8-3-2-4-9(7-8)14-6-5-10(13)11(14)15/h2-4,7,10H,5-6,13H2,1H3
InChIKeyYALSZSQHWCROEM-UHFFFAOYSA-N
XLogP0.54
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl)benzoate
CID 2859931
3-amino-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-2-one
CID 19710959
methyl 3-(2-oxopiperidin-1-yl)benzoate
CID 10681135
methyl 3-(3-oxomorpholin-4-yl)benzoate
CID 165482126
methyl 3-(3-amino-2,2-dimethylpiperidin-1-yl)benzoate
CID 117019246
methyl 3-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]benzoate
CID 83725126
methyl 3-[(15R,19R)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]benzoate
CID 1217339
methyl 3-(2,3-diaminomorpholin-4-yl)benzoate
CID 174774066
methyl 3-[(1R,2S,6S,7R,8S,9S)-8,9-dibromo-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]benzoate
CID 124772175
3-amino-1-[3-(2-phenylethynyl)phenyl]pyrrolidin-2-one;hydrochloride
CID 135387305
methyl 3-(4-hydroxy-2,2-dimethylpiperidin-1-yl)benzoate
CID 117019990
methyl 3-[4-(cyclopropanecarbonyl)piperazin-1-yl]benzoate
CID 113078439

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3-amino-2-oxopyrrolidin-1-yl)benzoate?
The IUPAC name of methyl 3-(3-amino-2-oxopyrrolidin-1-yl)benzoate (CID 142835055) is methyl 3-(3-amino-2-oxopyrrolidin-1-yl)benzoate.
What is the SMILES notation for methyl 3-(3-amino-2-oxopyrrolidin-1-yl)benzoate?
The canonical SMILES for methyl 3-(3-amino-2-oxopyrrolidin-1-yl)benzoate is COC(=O)c1cccc(N2CCC(N)C2=O)c1.
What is the InChIKey of methyl 3-(3-amino-2-oxopyrrolidin-1-yl)benzoate?
The InChIKey is YALSZSQHWCROEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-17-12(16)8-3-2-4-9(7-8)14-6-5-10(13)11(14)15/h2-4,7,10H,5-6,13H2,1H3.
What are the key properties of methyl 3-(3-amino-2-oxopyrrolidin-1-yl)benzoate?
methyl 3-(3-amino-2-oxopyrrolidin-1-yl)benzoate has a molecular weight of 234.25 g/mol, XLogP of 0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3-amino-2-oxopyrrolidin-1-yl)benzoate is sourced from PubChem (CID 142835055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).