(2S)-3-(1H-imidazol-5-yl)-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)propanoic acid

C10H14N4O5S — CID 168716741

IUPAC(2S)-3-(1H-imidazol-5-yl)-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)propanoic acid
SMILESNS(=O)(=O)C1CC(=O)N([C@@H](Cc2cnc[nH]2)C(=O)O)C1
InChIInChI=1S/C10H14N4O5S/c11-20(18,19)7-2-9(15)14(4-7)8(10(16)17)1-6-3-12-5-13-6/h3,5,7-8H,1-2,4H2,(H,12,13)(H,16,17)(H2,11,18,19)/t7?,8-/m0/s1
InChIKeyGFPIMEFXPMFRNA-MQWKRIRWSA-N
MW302.31 g/mol
LogP-1.71
Rot. Bonds5

About (2S)-3-(1H-imidazol-5-yl)-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)propanoic acid

(2S)-3-(1H-imidazol-5-yl)-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)propanoic acid (PubChem CID 168716741) has the molecular formula C10H14N4O5S and a molecular weight of 302.31 g/mol. Its IUPAC name is (2S)-3-(1H-imidazol-5-yl)-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)propanoic acid.

Molecular Properties

Compound Name(2S)-3-(1H-imidazol-5-yl)-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)propanoic acid
PubChem CID168716741
Molecular FormulaC10H14N4O5S
Molecular Weight302.31 g/mol
Exact Mass302.07
IUPAC Name(2S)-3-(1H-imidazol-5-yl)-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)propanoic acid
SMILESNS(=O)(=O)C1CC(=O)N([C@@H](Cc2cnc[nH]2)C(=O)O)C1
InChIInChI=1S/C10H14N4O5S/c11-20(18,19)7-2-9(15)14(4-7)8(10(16)17)1-6-3-12-5-13-6/h3,5,7-8H,1-2,4H2,(H,12,13)(H,16,17)(H2,11,18,19)/t7?,8-/m0/s1
InChIKeyGFPIMEFXPMFRNA-MQWKRIRWSA-N
XLogP-1.71
TPSA146.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 5-1.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-3-(1H-imidazol-5-yl)-2-(2-oxo-4-sulfanylpyrrolidin-1-yl)propanoic acid
CID 168707905
(2S)-2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-3-(1H-imidazol-5-yl)propanoic acid
CID 168695925
(2S)-2-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-3-(1H-imidazol-5-yl)propanoic acid
CID 168506826
(2S)-3-(4-methylphenyl)-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)propanoic acid
CID 168716607
(2R)-2-(2,5-dioxopyrrolidin-1-yl)-3-(1H-imidazol-5-yl)propanoic acid
CID 6940563
2-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)-3-(1H-imidazol-5-yl)propanoic acid
CID 63266239
3-(1H-imidazol-5-yl)-2-(4,5,6,7-tetrabromo-1,3-dioxoisoindol-2-yl)propanoic acid
CID 3952205
(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
(4S)-4-[(2-aminoacetyl)amino]-5-[(3R)-1-[(1S)-1-carboxy-2-(1H-imidazol-5-yl)ethyl]-2-oxopyrrolidin-3-yl]-5-oxopentanoic acid
CID 75204235
2-(4-fluorophenyl)-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)acetic acid
CID 168716614
2-(2,5-dimethylpyrrol-1-yl)-3-(1H-imidazol-5-yl)propanoic acid
CID 3154321

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(1H-imidazol-5-yl)-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)propanoic acid?
The IUPAC name of (2S)-3-(1H-imidazol-5-yl)-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)propanoic acid (CID 168716741) is (2S)-3-(1H-imidazol-5-yl)-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)propanoic acid.
What is the SMILES notation for (2S)-3-(1H-imidazol-5-yl)-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)propanoic acid?
The canonical SMILES for (2S)-3-(1H-imidazol-5-yl)-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)propanoic acid is NS(=O)(=O)C1CC(=O)N([C@@H](Cc2cnc[nH]2)C(=O)O)C1.
What is the InChIKey of (2S)-3-(1H-imidazol-5-yl)-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)propanoic acid?
The InChIKey is GFPIMEFXPMFRNA-MQWKRIRWSA-N. The full InChI is InChI=1S/C10H14N4O5S/c11-20(18,19)7-2-9(15)14(4-7)8(10(16)17)1-6-3-12-5-13-6/h3,5,7-8H,1-2,4H2,(H,12,13)(H,16,17)(H2,11,18,19)/t7?,8-/m0/s1.
What are the key properties of (2S)-3-(1H-imidazol-5-yl)-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)propanoic acid?
(2S)-3-(1H-imidazol-5-yl)-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)propanoic acid has a molecular weight of 302.31 g/mol, XLogP of -1.71, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(1H-imidazol-5-yl)-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)propanoic acid is sourced from PubChem (CID 168716741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).