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

C10H18N2O5S — CID 168680303

IUPAC(2S)-2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]pentanoic acid
SMILESCCC[C@@H](C(=O)O)N1CC(CS(N)(=O)=O)CC1=O
InChIInChI=1S/C10H18N2O5S/c1-2-3-8(10(14)15)12-5-7(4-9(12)13)6-18(11,16)17/h7-8H,2-6H2,1H3,(H,14,15)(H2,11,16,17)/t7?,8-/m0/s1
InChIKeyOYXRPZQHJIIYJZ-MQWKRIRWSA-N
MW278.33 g/mol
LogP-0.62
Rot. Bonds6

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

(2S)-2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]pentanoic acid (PubChem CID 168680303) has the molecular formula C10H18N2O5S and a molecular weight of 278.33 g/mol. Its IUPAC name is (2S)-2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]pentanoic acid.

Molecular Properties

Compound Name(2S)-2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]pentanoic acid
PubChem CID168680303
Molecular FormulaC10H18N2O5S
Molecular Weight278.33 g/mol
Exact Mass278.09
IUPAC Name(2S)-2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]pentanoic acid
SMILESCCC[C@@H](C(=O)O)N1CC(CS(N)(=O)=O)CC1=O
InChIInChI=1S/C10H18N2O5S/c1-2-3-8(10(14)15)12-5-7(4-9(12)13)6-18(11,16)17/h7-8H,2-6H2,1H3,(H,14,15)(H2,11,16,17)/t7?,8-/m0/s1
InChIKeyOYXRPZQHJIIYJZ-MQWKRIRWSA-N
XLogP-0.62
TPSA117.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]octanoic acid
CID 168680298
(2S)-4-methylsulfanyl-2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]butanoic acid
CID 168680339
2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]butanedioic acid
CID 168680383
(2S)-5-methoxy-5-oxo-2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]pentanoic acid
CID 168680322
2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]-4-phenylbutanoic acid
CID 168680411
(2S)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]hexanoic acid
CID 168674814
(2R,3S)-3-methyl-2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]pentanoic acid
CID 168680118
(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methanesulfonamide
CID 168680649
(1-hexan-2-yl-5-oxopyrrolidin-3-yl)methanesulfonamide
CID 168680295
(2S)-2-[(4S)-2-oxo-4-propylpyrrolidin-1-yl]butanoic acid
CID 67365791
(2S)-2-[(4R)-2-oxo-4-propylpyrrolidin-1-yl]butanoic acid
CID 59650074
2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3-hydroxypropanoic acid
CID 168674925

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]pentanoic acid?
The IUPAC name of (2S)-2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]pentanoic acid (CID 168680303) is (2S)-2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]pentanoic acid.
What is the SMILES notation for (2S)-2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]pentanoic acid?
The canonical SMILES for (2S)-2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]pentanoic acid is CCC[C@@H](C(=O)O)N1CC(CS(N)(=O)=O)CC1=O.
What is the InChIKey of (2S)-2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]pentanoic acid?
The InChIKey is OYXRPZQHJIIYJZ-MQWKRIRWSA-N. The full InChI is InChI=1S/C10H18N2O5S/c1-2-3-8(10(14)15)12-5-7(4-9(12)13)6-18(11,16)17/h7-8H,2-6H2,1H3,(H,14,15)(H2,11,16,17)/t7?,8-/m0/s1.
What are the key properties of (2S)-2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]pentanoic acid?
(2S)-2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]pentanoic acid has a molecular weight of 278.33 g/mol, XLogP of -0.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]pentanoic acid is sourced from PubChem (CID 168680303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).