(2S,3S)-3-methyl-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)pentanoic acid

C10H18N2O5S — CID 168716361

IUPAC(2S,3S)-3-methyl-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)pentanoic acid
SMILESCC[C@H](C)[C@@H](C(=O)O)N1CC(S(N)(=O)=O)CC1=O
InChIInChI=1S/C10H18N2O5S/c1-3-6(2)9(10(14)15)12-5-7(4-8(12)13)18(11,16)17/h6-7,9H,3-5H2,1-2H3,(H,14,15)(H2,11,16,17)/t6-,7?,9-/m0/s1
InChIKeyGETKMUKAXYTAAT-LXZQMHNESA-N
MW278.33 g/mol
LogP-0.62
Rot. Bonds5

About (2S,3S)-3-methyl-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)pentanoic acid

(2S,3S)-3-methyl-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)pentanoic acid (PubChem CID 168716361) has the molecular formula C10H18N2O5S and a molecular weight of 278.33 g/mol. Its IUPAC name is (2S,3S)-3-methyl-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)pentanoic acid.

Molecular Properties

Compound Name(2S,3S)-3-methyl-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)pentanoic acid
PubChem CID168716361
Molecular FormulaC10H18N2O5S
Molecular Weight278.33 g/mol
Exact Mass278.09
IUPAC Name(2S,3S)-3-methyl-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)pentanoic acid
SMILESCC[C@H](C)[C@@H](C(=O)O)N1CC(S(N)(=O)=O)CC1=O
InChIInChI=1S/C10H18N2O5S/c1-3-6(2)9(10(14)15)12-5-7(4-8(12)13)18(11,16)17/h6-7,9H,3-5H2,1-2H3,(H,14,15)(H2,11,16,17)/t6-,7?,9-/m0/s1
InChIKeyGETKMUKAXYTAAT-LXZQMHNESA-N
XLogP-0.62
TPSA117.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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

(2S)-3-methyl-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)butanoic acid
CID 168716442
3-methyl-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)butanoic acid
CID 168716429
3-hydroxy-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)butanoic acid
CID 168716351
(2R,3S)-3-methyl-2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]pentanoic acid
CID 168680118
2-(4-hydroxy-2-oxopyrrolidin-1-yl)-3-methylpentanoic acid
CID 168701417
(2S,3S)-3-methyl-2-(2-oxo-4-sulfanylpyrrolidin-1-yl)pentanoic acid
CID 168707525
(2R,3S)-2-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-3-methylpentanoic acid
CID 168506448
1-(1-aminopentan-3-yl)-5-oxopyrrolidine-3-sulfonamide
CID 168716523
(2S)-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-3-methylbutanoic acid
CID 168713114
(2S,3S)-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-3-hydroxybutanoic acid
CID 168713040
2-cyclohexyl-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)acetic acid
CID 168716627
(2S)-3-(4-methylphenyl)-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)propanoic acid
CID 168716607

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-methyl-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)pentanoic acid?
The IUPAC name of (2S,3S)-3-methyl-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)pentanoic acid (CID 168716361) is (2S,3S)-3-methyl-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)pentanoic acid.
What is the SMILES notation for (2S,3S)-3-methyl-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)pentanoic acid?
The canonical SMILES for (2S,3S)-3-methyl-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)pentanoic acid is CC[C@H](C)[C@@H](C(=O)O)N1CC(S(N)(=O)=O)CC1=O.
What is the InChIKey of (2S,3S)-3-methyl-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)pentanoic acid?
The InChIKey is GETKMUKAXYTAAT-LXZQMHNESA-N. The full InChI is InChI=1S/C10H18N2O5S/c1-3-6(2)9(10(14)15)12-5-7(4-8(12)13)18(11,16)17/h6-7,9H,3-5H2,1-2H3,(H,14,15)(H2,11,16,17)/t6-,7?,9-/m0/s1.
What are the key properties of (2S,3S)-3-methyl-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)pentanoic acid?
(2S,3S)-3-methyl-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)pentanoic acid has a molecular weight of 278.33 g/mol, XLogP of -0.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-methyl-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)pentanoic acid is sourced from PubChem (CID 168716361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).