2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]-4-phenylbutanoic acid

C15H20N2O5S — CID 168680411

IUPAC2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]-4-phenylbutanoic acid
SMILESNS(=O)(=O)CC1CC(=O)N(C(CCc2ccccc2)C(=O)O)C1
InChIInChI=1S/C15H20N2O5S/c16-23(21,22)10-12-8-14(18)17(9-12)13(15(19)20)7-6-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2,(H,19,20)(H2,16,21,22)
InChIKeyOUSAEAINGAAFRH-UHFFFAOYSA-N
MW340.40 g/mol
LogP0.21
Rot. Bonds7

About 2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]-4-phenylbutanoic acid

2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]-4-phenylbutanoic acid (PubChem CID 168680411) has the molecular formula C15H20N2O5S and a molecular weight of 340.40 g/mol. Its IUPAC name is 2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]-4-phenylbutanoic acid.

Molecular Properties

Compound Name2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]-4-phenylbutanoic acid
PubChem CID168680411
Molecular FormulaC15H20N2O5S
Molecular Weight340.40 g/mol
Exact Mass340.11
IUPAC Name2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]-4-phenylbutanoic acid
SMILESNS(=O)(=O)CC1CC(=O)N(C(CCc2ccccc2)C(=O)O)C1
InChIInChI=1S/C15H20N2O5S/c16-23(21,22)10-12-8-14(18)17(9-12)13(15(19)20)7-6-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2,(H,19,20)(H2,16,21,22)
InChIKeyOUSAEAINGAAFRH-UHFFFAOYSA-N
XLogP0.21
TPSA117.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[5-oxo-1-(4-phenylbutan-2-yl)pyrrolidin-3-yl]methanesulfonamide
CID 168680206
(2S)-2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]pentanoic acid
CID 168680303
2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]butanedioic acid
CID 168680383
(2S)-4-methylsulfanyl-2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]butanoic acid
CID 168680339
2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]octanoic acid
CID 168680298
(2S)-5-methoxy-5-oxo-2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]pentanoic acid
CID 168680322
(2S)-3-(2-bromophenyl)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]propanoic acid
CID 168675007
2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-3-phenylpropanoic acid
CID 168658961
methyl (2R)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3-phenylpropanoate
CID 168674837
3-(4-fluorophenyl)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]propanoic acid
CID 168674933
(2S)-3-(4-fluorophenyl)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]propanoic acid
CID 168675004
2-(3-methoxyphenyl)-2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]acetic acid
CID 168680334

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]-4-phenylbutanoic acid?
The IUPAC name of 2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]-4-phenylbutanoic acid (CID 168680411) is 2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]-4-phenylbutanoic acid.
What is the SMILES notation for 2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]-4-phenylbutanoic acid?
The canonical SMILES for 2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]-4-phenylbutanoic acid is NS(=O)(=O)CC1CC(=O)N(C(CCc2ccccc2)C(=O)O)C1.
What is the InChIKey of 2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]-4-phenylbutanoic acid?
The InChIKey is OUSAEAINGAAFRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O5S/c16-23(21,22)10-12-8-14(18)17(9-12)13(15(19)20)7-6-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2,(H,19,20)(H2,16,21,22).
What are the key properties of 2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]-4-phenylbutanoic acid?
2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]-4-phenylbutanoic acid has a molecular weight of 340.40 g/mol, XLogP of 0.21, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]-4-phenylbutanoic acid is sourced from PubChem (CID 168680411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).