methyl 3-(3-methoxypropoxy)-5-(2-oxopyrrolidin-1-yl)benzoate

C16H21NO5 — CID 69360235

IUPACmethyl 3-(3-methoxypropoxy)-5-(2-oxopyrrolidin-1-yl)benzoate
SMILESCOCCCOc1cc(C(=O)OC)cc(N2CCCC2=O)c1
InChIInChI=1S/C16H21NO5/c1-20-7-4-8-22-14-10-12(16(19)21-2)9-13(11-14)17-6-3-5-15(17)18/h9-11H,3-8H2,1-2H3
InChIKeyORVLNXWRKNANDU-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.02
Rot. Bonds7

About methyl 3-(3-methoxypropoxy)-5-(2-oxopyrrolidin-1-yl)benzoate

methyl 3-(3-methoxypropoxy)-5-(2-oxopyrrolidin-1-yl)benzoate (PubChem CID 69360235) has the molecular formula C16H21NO5 and a molecular weight of 307.35 g/mol. Its IUPAC name is methyl 3-(3-methoxypropoxy)-5-(2-oxopyrrolidin-1-yl)benzoate.

Molecular Properties

Compound Namemethyl 3-(3-methoxypropoxy)-5-(2-oxopyrrolidin-1-yl)benzoate
PubChem CID69360235
Molecular FormulaC16H21NO5
Molecular Weight307.35 g/mol
Exact Mass307.14
IUPAC Namemethyl 3-(3-methoxypropoxy)-5-(2-oxopyrrolidin-1-yl)benzoate
SMILESCOCCCOc1cc(C(=O)OC)cc(N2CCCC2=O)c1
InChIInChI=1S/C16H21NO5/c1-20-7-4-8-22-14-10-12(16(19)21-2)9-13(11-14)17-6-3-5-15(17)18/h9-11H,3-8H2,1-2H3
InChIKeyORVLNXWRKNANDU-UHFFFAOYSA-N
XLogP2.02
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze methyl 3-(3-methoxypropoxy)-5-(2-oxopyrrolidin-1-yl)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 3-(2-oxopiperidin-1-yl)benzoate
CID 10681135
methyl 3-(2-methylpropylamino)-5-(2-oxopyrrolidin-1-yl)benzoate
CID 69358703
methyl 4-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]benzoate
CID 8747295
1-[3-[3-(4-methoxyphenoxy)propoxy]phenyl]pyrrolidin-2-one
CID 39992148
3-butan-2-yloxy-5-(2-oxopyrrolidin-1-yl)benzoic acid
CID 22253006
methyl 3-(2-oxopyrrolidin-1-yl)-5-(phenylmethoxycarbonylamino)benzoate
CID 67438703
N-methyl-3-(2-oxopyrrolidin-1-yl)-N-(3-phenoxypropyl)benzamide
CID 55654163
N-[2-(4-methylphenoxy)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 9425252
methyl 4-[[2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]amino]benzoate
CID 26685968
3,5-dimethoxy-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686372
4-[4-(2-oxopyrrolidin-1-yl)phenoxy]butanoic acid
CID 43351519
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-propoxybenzamide
CID 46490538

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3-methoxypropoxy)-5-(2-oxopyrrolidin-1-yl)benzoate?
The IUPAC name of methyl 3-(3-methoxypropoxy)-5-(2-oxopyrrolidin-1-yl)benzoate (CID 69360235) is methyl 3-(3-methoxypropoxy)-5-(2-oxopyrrolidin-1-yl)benzoate.
What is the SMILES notation for methyl 3-(3-methoxypropoxy)-5-(2-oxopyrrolidin-1-yl)benzoate?
The canonical SMILES for methyl 3-(3-methoxypropoxy)-5-(2-oxopyrrolidin-1-yl)benzoate is COCCCOc1cc(C(=O)OC)cc(N2CCCC2=O)c1.
What is the InChIKey of methyl 3-(3-methoxypropoxy)-5-(2-oxopyrrolidin-1-yl)benzoate?
The InChIKey is ORVLNXWRKNANDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO5/c1-20-7-4-8-22-14-10-12(16(19)21-2)9-13(11-14)17-6-3-5-15(17)18/h9-11H,3-8H2,1-2H3.
What are the key properties of methyl 3-(3-methoxypropoxy)-5-(2-oxopyrrolidin-1-yl)benzoate?
methyl 3-(3-methoxypropoxy)-5-(2-oxopyrrolidin-1-yl)benzoate has a molecular weight of 307.35 g/mol, XLogP of 2.02, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3-methoxypropoxy)-5-(2-oxopyrrolidin-1-yl)benzoate is sourced from PubChem (CID 69360235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).