methyl 2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]benzoate

C14H16N2O4 — CID 43406096

IUPACmethyl 2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)CN1CCCC1=O
InChIInChI=1S/C14H16N2O4/c1-20-14(19)10-5-2-3-6-11(10)15-12(17)9-16-8-4-7-13(16)18/h2-3,5-6H,4,7-9H2,1H3,(H,15,17)
InChIKeyUVPJHTIBIIWBQS-UHFFFAOYSA-N
MW276.29 g/mol
LogP1.03
Rot. Bonds4

About methyl 2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]benzoate

methyl 2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]benzoate (PubChem CID 43406096) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is methyl 2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]benzoate
PubChem CID43406096
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Namemethyl 2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)CN1CCCC1=O
InChIInChI=1S/C14H16N2O4/c1-20-14(19)10-5-2-3-6-11(10)15-12(17)9-16-8-4-7-13(16)18/h2-3,5-6H,4,7-9H2,1H3,(H,15,17)
InChIKeyUVPJHTIBIIWBQS-UHFFFAOYSA-N
XLogP1.03
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[(2-piperidin-1-ylacetyl)amino]benzoate
CID 892472
N-(2-carbamothioylphenyl)-2-(2-oxoazepan-1-yl)acetamide
CID 29276180
methyl 4-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]benzoate
CID 9068811
2-[2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]phenoxy]acetic acid
CID 63745847
N-[2,5-dimethoxy-4-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]phenyl]benzamide
CID 9374401
methyl 2-[[2-[4-(2-oxopyrrolidin-1-yl)benzoyl]oxyacetyl]amino]benzoate
CID 7953013
methyl 2-[[2-(2,5-dimethylpyrrol-1-yl)acetyl]amino]benzoate
CID 935456
methyl 2-[[2-(2-oxo-3H-1,4-benzoxazin-4-yl)acetyl]amino]benzoate
CID 39058834
methyl 2-[[2-(2,3-dihydro-1,4-benzothiazin-4-yl)acetyl]amino]benzoate
CID 8591972
2-methyl-N'-[2-(2-oxopyrrolidin-1-yl)acetyl]benzohydrazide
CID 9224240
methyl 2-[[2-(4-formylpiperazin-1-yl)acetyl]amino]benzoate
CID 108995831
2-(2-oxoazepan-1-yl)-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 30583518

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]benzoate?
The IUPAC name of methyl 2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]benzoate (CID 43406096) is methyl 2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]benzoate?
The canonical SMILES for methyl 2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)CN1CCCC1=O.
What is the InChIKey of methyl 2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]benzoate?
The InChIKey is UVPJHTIBIIWBQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-20-14(19)10-5-2-3-6-11(10)15-12(17)9-16-8-4-7-13(16)18/h2-3,5-6H,4,7-9H2,1H3,(H,15,17).
What are the key properties of methyl 2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]benzoate?
methyl 2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]benzoate has a molecular weight of 276.29 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]benzoate is sourced from PubChem (CID 43406096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).