(2S)-5-methoxy-5-oxo-2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]pentanoic acid

C11H18N2O7S — CID 168680322

IUPAC(2S)-5-methoxy-5-oxo-2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]pentanoic acid
SMILESCOC(=O)CC[C@@H](C(=O)O)N1CC(CS(N)(=O)=O)CC1=O
InChIInChI=1S/C11H18N2O7S/c1-20-10(15)3-2-8(11(16)17)13-5-7(4-9(13)14)6-21(12,18)19/h7-8H,2-6H2,1H3,(H,16,17)(H2,12,18,19)/t7?,8-/m0/s1
InChIKeyMGBRGEGQKATVFN-MQWKRIRWSA-N
MW322.34 g/mol
LogP-1.47
Rot. Bonds7

About (2S)-5-methoxy-5-oxo-2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]pentanoic acid

(2S)-5-methoxy-5-oxo-2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]pentanoic acid (PubChem CID 168680322) has the molecular formula C11H18N2O7S and a molecular weight of 322.34 g/mol. Its IUPAC name is (2S)-5-methoxy-5-oxo-2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]pentanoic acid.

Molecular Properties

Compound Name(2S)-5-methoxy-5-oxo-2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]pentanoic acid
PubChem CID168680322
Molecular FormulaC11H18N2O7S
Molecular Weight322.34 g/mol
Exact Mass322.08
IUPAC Name(2S)-5-methoxy-5-oxo-2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]pentanoic acid
SMILESCOC(=O)CC[C@@H](C(=O)O)N1CC(CS(N)(=O)=O)CC1=O
InChIInChI=1S/C11H18N2O7S/c1-20-10(15)3-2-8(11(16)17)13-5-7(4-9(13)14)6-21(12,18)19/h7-8H,2-6H2,1H3,(H,16,17)(H2,12,18,19)/t7?,8-/m0/s1
InChIKeyMGBRGEGQKATVFN-MQWKRIRWSA-N
XLogP-1.47
TPSA144.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 5-1.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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]butanedioic acid
CID 168680383
2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]octanoic acid
CID 168680298
(2S)-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-5-methoxy-5-oxopentanoic acid
CID 168713239
2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]-4-phenylbutanoic acid
CID 168680411
(2R,3S)-3-methyl-2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]pentanoic acid
CID 168680118
(2S)-5-ethoxy-2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-5-oxopentanoic acid
CID 168661674
(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methanesulfonamide
CID 168680649
(2S)-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
CID 168674669
2-(3-methoxyphenyl)-2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]acetic acid
CID 168680334
2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]-3-hydroxypropanoic acid
CID 168674925

Frequently Asked Questions

What is the IUPAC name of (2S)-5-methoxy-5-oxo-2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]pentanoic acid?
The IUPAC name of (2S)-5-methoxy-5-oxo-2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]pentanoic acid (CID 168680322) is (2S)-5-methoxy-5-oxo-2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]pentanoic acid.
What is the SMILES notation for (2S)-5-methoxy-5-oxo-2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]pentanoic acid?
The canonical SMILES for (2S)-5-methoxy-5-oxo-2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]pentanoic acid is COC(=O)CC[C@@H](C(=O)O)N1CC(CS(N)(=O)=O)CC1=O.
What is the InChIKey of (2S)-5-methoxy-5-oxo-2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]pentanoic acid?
The InChIKey is MGBRGEGQKATVFN-MQWKRIRWSA-N. The full InChI is InChI=1S/C11H18N2O7S/c1-20-10(15)3-2-8(11(16)17)13-5-7(4-9(13)14)6-21(12,18)19/h7-8H,2-6H2,1H3,(H,16,17)(H2,12,18,19)/t7?,8-/m0/s1.
What are the key properties of (2S)-5-methoxy-5-oxo-2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]pentanoic acid?
(2S)-5-methoxy-5-oxo-2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]pentanoic acid has a molecular weight of 322.34 g/mol, XLogP of -1.47, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-methoxy-5-oxo-2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]pentanoic acid is sourced from PubChem (CID 168680322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).