(2R,3S)-3-methyl-2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]pentanoic acid

C11H20N2O5S — CID 168680118

IUPAC(2R,3S)-3-methyl-2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]pentanoic acid
SMILESCC[C@H](C)[C@H](C(=O)O)N1CC(CS(N)(=O)=O)CC1=O
InChIInChI=1S/C11H20N2O5S/c1-3-7(2)10(11(15)16)13-5-8(4-9(13)14)6-19(12,17)18/h7-8,10H,3-6H2,1-2H3,(H,15,16)(H2,12,17,18)/t7-,8?,10+/m0/s1
InChIKeyGPKRXRWNGABLTN-HKJUDDBKSA-N
MW292.36 g/mol
LogP-0.38
Rot. Bonds6

About (2R,3S)-3-methyl-2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]pentanoic acid

(2R,3S)-3-methyl-2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]pentanoic acid (PubChem CID 168680118) has the molecular formula C11H20N2O5S and a molecular weight of 292.36 g/mol. Its IUPAC name is (2R,3S)-3-methyl-2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]pentanoic acid.

Molecular Properties

Compound Name(2R,3S)-3-methyl-2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]pentanoic acid
PubChem CID168680118
Molecular FormulaC11H20N2O5S
Molecular Weight292.36 g/mol
Exact Mass292.11
IUPAC Name(2R,3S)-3-methyl-2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]pentanoic acid
SMILESCC[C@H](C)[C@H](C(=O)O)N1CC(CS(N)(=O)=O)CC1=O
InChIInChI=1S/C11H20N2O5S/c1-3-7(2)10(11(15)16)13-5-8(4-9(13)14)6-19(12,17)18/h7-8,10H,3-6H2,1-2H3,(H,15,16)(H2,12,17,18)/t7-,8?,10+/m0/s1
InChIKeyGPKRXRWNGABLTN-HKJUDDBKSA-N
XLogP-0.38
TPSA117.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3S)-3-methyl-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)pentanoic acid
CID 168716361
(2R,3S)-2-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-3-methylpentanoic acid
CID 168506448
2-(4-hydroxy-2-oxopyrrolidin-1-yl)-3-methylpentanoic acid
CID 168701417
(2S)-2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]pentanoic acid
CID 168680303
(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methanesulfonamide
CID 168680649
(2S,3S)-3-methyl-2-(2-oxo-4-sulfanylpyrrolidin-1-yl)pentanoic acid
CID 168707525
[1-[(2S)-1-hydroxypropan-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168680344
2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]octanoic acid
CID 168680298
2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]butanedioic acid
CID 168680383
(1-hexan-2-yl-5-oxopyrrolidin-3-yl)methanesulfonamide
CID 168680295
(2S)-5-methoxy-5-oxo-2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]pentanoic acid
CID 168680322
(2S)-4-methylsulfanyl-2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]butanoic acid
CID 168680339

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-methyl-2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]pentanoic acid?
The IUPAC name of (2R,3S)-3-methyl-2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]pentanoic acid (CID 168680118) is (2R,3S)-3-methyl-2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]pentanoic acid.
What is the SMILES notation for (2R,3S)-3-methyl-2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]pentanoic acid?
The canonical SMILES for (2R,3S)-3-methyl-2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]pentanoic acid is CC[C@H](C)[C@H](C(=O)O)N1CC(CS(N)(=O)=O)CC1=O.
What is the InChIKey of (2R,3S)-3-methyl-2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]pentanoic acid?
The InChIKey is GPKRXRWNGABLTN-HKJUDDBKSA-N. The full InChI is InChI=1S/C11H20N2O5S/c1-3-7(2)10(11(15)16)13-5-8(4-9(13)14)6-19(12,17)18/h7-8,10H,3-6H2,1-2H3,(H,15,16)(H2,12,17,18)/t7-,8?,10+/m0/s1.
What are the key properties of (2R,3S)-3-methyl-2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]pentanoic acid?
(2R,3S)-3-methyl-2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]pentanoic acid has a molecular weight of 292.36 g/mol, XLogP of -0.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-methyl-2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]pentanoic acid is sourced from PubChem (CID 168680118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).