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

C9H14N2O7S — CID 168680383

IUPAC2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]butanedioic acid
SMILESNS(=O)(=O)CC1CC(=O)N(C(CC(=O)O)C(=O)O)C1
InChIInChI=1S/C9H14N2O7S/c10-19(17,18)4-5-1-7(12)11(3-5)6(9(15)16)2-8(13)14/h5-6H,1-4H2,(H,13,14)(H,15,16)(H2,10,17,18)
InChIKeyTZYYYRBSISKXJC-UHFFFAOYSA-N
MW294.29 g/mol
LogP-1.95
Rot. Bonds6

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

2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]butanedioic acid (PubChem CID 168680383) has the molecular formula C9H14N2O7S and a molecular weight of 294.29 g/mol. Its IUPAC name is 2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]butanedioic acid.

Molecular Properties

Compound Name2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]butanedioic acid
PubChem CID168680383
Molecular FormulaC9H14N2O7S
Molecular Weight294.29 g/mol
Exact Mass294.05
IUPAC Name2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]butanedioic acid
SMILESNS(=O)(=O)CC1CC(=O)N(C(CC(=O)O)C(=O)O)C1
InChIInChI=1S/C9H14N2O7S/c10-19(17,18)4-5-1-7(12)11(3-5)6(9(15)16)2-8(13)14/h5-6H,1-4H2,(H,13,14)(H,15,16)(H2,10,17,18)
InChIKeyTZYYYRBSISKXJC-UHFFFAOYSA-N
XLogP-1.95
TPSA155.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.29
LogP ≤ 5-1.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]pentanoic acid
CID 168680303
(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
2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]-4-phenylbutanoic acid
CID 168680411
(2S)-5-methoxy-5-oxo-2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]pentanoic acid
CID 168680322
(2R,3S)-3-methyl-2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]pentanoic acid
CID 168680118
3-(3-methylphenyl)-3-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]propanoic acid
CID 168680363
(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methanesulfonamide
CID 168680649
(3S)-3-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
CID 168674692
2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3-hydroxypropanoic acid
CID 168674925
(2R)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]hexanedioic acid
CID 168675018
[1-[(2S)-1-hydroxypropan-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168680344

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]butanedioic acid?
The IUPAC name of 2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]butanedioic acid (CID 168680383) is 2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]butanedioic acid.
What is the SMILES notation for 2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]butanedioic acid?
The canonical SMILES for 2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]butanedioic acid is NS(=O)(=O)CC1CC(=O)N(C(CC(=O)O)C(=O)O)C1.
What is the InChIKey of 2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]butanedioic acid?
The InChIKey is TZYYYRBSISKXJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O7S/c10-19(17,18)4-5-1-7(12)11(3-5)6(9(15)16)2-8(13)14/h5-6H,1-4H2,(H,13,14)(H,15,16)(H2,10,17,18).
What are the key properties of 2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]butanedioic acid?
2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]butanedioic acid has a molecular weight of 294.29 g/mol, XLogP of -1.95, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]butanedioic acid is sourced from PubChem (CID 168680383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).