2-(3-methoxyphenyl)-2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]acetic acid

C14H18N2O6S — CID 168680334

IUPAC2-(3-methoxyphenyl)-2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]acetic acid
SMILESCOc1cccc(C(C(=O)O)N2CC(CS(N)(=O)=O)CC2=O)c1
InChIInChI=1S/C14H18N2O6S/c1-22-11-4-2-3-10(6-11)13(14(18)19)16-7-9(5-12(16)17)8-23(15,20)21/h2-4,6,9,13H,5,7-8H2,1H3,(H,18,19)(H2,15,20,21)
InChIKeyDNQOATPLUBKVBH-UHFFFAOYSA-N
MW342.37 g/mol
LogP-0.04
Rot. Bonds6

About 2-(3-methoxyphenyl)-2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]acetic acid

2-(3-methoxyphenyl)-2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]acetic acid (PubChem CID 168680334) has the molecular formula C14H18N2O6S and a molecular weight of 342.37 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]acetic acid
PubChem CID168680334
Molecular FormulaC14H18N2O6S
Molecular Weight342.37 g/mol
Exact Mass342.09
IUPAC Name2-(3-methoxyphenyl)-2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]acetic acid
SMILESCOc1cccc(C(C(=O)O)N2CC(CS(N)(=O)=O)CC2=O)c1
InChIInChI=1S/C14H18N2O6S/c1-22-11-4-2-3-10(6-11)13(14(18)19)16-7-9(5-12(16)17)8-23(15,20)21/h2-4,6,9,13H,5,7-8H2,1H3,(H,18,19)(H2,15,20,21)
InChIKeyDNQOATPLUBKVBH-UHFFFAOYSA-N
XLogP-0.04
TPSA127.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3-(3-methoxyphenyl)propanoic acid
CID 168674848
2-(4-acetylsulfanyl-2-oxopyrrolidin-1-yl)-2-(3-methoxyphenyl)acetic acid
CID 168704416
3-(3-methylphenyl)-3-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]propanoic acid
CID 168680363
2-(4-amino-2-oxopyrrolidin-1-yl)-2-(4-methoxyphenyl)acetic acid
CID 168698845
[1-[1-(2,5-dimethoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168680227
3-(3-methoxyphenyl)-3-(2-oxo-4-sulfamoylpyrrolidin-1-yl)propanoic acid
CID 168716580
(2S)-5-methoxy-5-oxo-2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]pentanoic acid
CID 168680322
(2S)-2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]pentanoic acid
CID 168680303
4-methoxy-2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]benzoic acid
CID 168681151
2-(3-fluorophenyl)-2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]acetic acid
CID 168661738
2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]butanedioic acid
CID 168680383
N-[4-methoxy-2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]phenyl]acetamide
CID 168680711

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]acetic acid?
The IUPAC name of 2-(3-methoxyphenyl)-2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]acetic acid (CID 168680334) is 2-(3-methoxyphenyl)-2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]acetic acid.
What is the SMILES notation for 2-(3-methoxyphenyl)-2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]acetic acid?
The canonical SMILES for 2-(3-methoxyphenyl)-2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]acetic acid is COc1cccc(C(C(=O)O)N2CC(CS(N)(=O)=O)CC2=O)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]acetic acid?
The InChIKey is DNQOATPLUBKVBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O6S/c1-22-11-4-2-3-10(6-11)13(14(18)19)16-7-9(5-12(16)17)8-23(15,20)21/h2-4,6,9,13H,5,7-8H2,1H3,(H,18,19)(H2,15,20,21).
What are the key properties of 2-(3-methoxyphenyl)-2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]acetic acid?
2-(3-methoxyphenyl)-2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]acetic acid has a molecular weight of 342.37 g/mol, XLogP of -0.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]acetic acid is sourced from PubChem (CID 168680334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).