3-methyl-5-oxo-5-(2-sulfamoylanilino)pentanoic acid

C12H16N2O5S — CID 62964751

IUPAC3-methyl-5-oxo-5-(2-sulfamoylanilino)pentanoic acid
SMILESCC(CC(=O)O)CC(=O)Nc1ccccc1S(N)(=O)=O
InChIInChI=1S/C12H16N2O5S/c1-8(7-12(16)17)6-11(15)14-9-4-2-3-5-10(9)20(13,18)19/h2-5,8H,6-7H2,1H3,(H,14,15)(H,16,17)(H2,13,18,19)
InChIKeyNURSJFNJWNFNLG-UHFFFAOYSA-N
MW300.34 g/mol
LogP0.77
Rot. Bonds6

About 3-methyl-5-oxo-5-(2-sulfamoylanilino)pentanoic acid

3-methyl-5-oxo-5-(2-sulfamoylanilino)pentanoic acid (PubChem CID 62964751) has the molecular formula C12H16N2O5S and a molecular weight of 300.34 g/mol. Its IUPAC name is 3-methyl-5-oxo-5-(2-sulfamoylanilino)pentanoic acid.

Molecular Properties

Compound Name3-methyl-5-oxo-5-(2-sulfamoylanilino)pentanoic acid
PubChem CID62964751
Molecular FormulaC12H16N2O5S
Molecular Weight300.34 g/mol
Exact Mass300.08
IUPAC Name3-methyl-5-oxo-5-(2-sulfamoylanilino)pentanoic acid
SMILESCC(CC(=O)O)CC(=O)Nc1ccccc1S(N)(=O)=O
InChIInChI=1S/C12H16N2O5S/c1-8(7-12(16)17)6-11(15)14-9-4-2-3-5-10(9)20(13,18)19/h2-5,8H,6-7H2,1H3,(H,14,15)(H,16,17)(H2,13,18,19)
InChIKeyNURSJFNJWNFNLG-UHFFFAOYSA-N
XLogP0.77
TPSA126.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-4-(2-sulfamoylanilino)butanoic acid
CID 81065364
4-oxo-4-(2-sulfamoylanilino)butanoic acid
CID 61129519
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CID 45126722
1-propan-2-yl-3-(2-sulfamoylphenyl)urea
CID 61131721
3-amino-N-(2-sulfamoylphenyl)propanamide
CID 10705385
2-methyl-3-oxo-3-(2-sulfamoylanilino)propanoic acid
CID 114898170
5-(2-cyanoanilino)-3-methyl-5-oxopentanoic acid
CID 55155791
2-phenylsulfanyl-N-(2-sulfamoylphenyl)acetamide
CID 78992086
2-[(2-sulfamoylphenyl)carbamoyl]butanoic acid
CID 91215602
2-(2-sulfamoylanilino)propanoic acid
CID 43468805
3-amino-N-[2-(difluoromethylsulfonyl)phenyl]butanamide
CID 60843539
3-methyl-5-oxo-5-(2-thiophen-2-ylanilino)pentanoic acid
CID 62966107

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-oxo-5-(2-sulfamoylanilino)pentanoic acid?
The IUPAC name of 3-methyl-5-oxo-5-(2-sulfamoylanilino)pentanoic acid (CID 62964751) is 3-methyl-5-oxo-5-(2-sulfamoylanilino)pentanoic acid.
What is the SMILES notation for 3-methyl-5-oxo-5-(2-sulfamoylanilino)pentanoic acid?
The canonical SMILES for 3-methyl-5-oxo-5-(2-sulfamoylanilino)pentanoic acid is CC(CC(=O)O)CC(=O)Nc1ccccc1S(N)(=O)=O.
What is the InChIKey of 3-methyl-5-oxo-5-(2-sulfamoylanilino)pentanoic acid?
The InChIKey is NURSJFNJWNFNLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O5S/c1-8(7-12(16)17)6-11(15)14-9-4-2-3-5-10(9)20(13,18)19/h2-5,8H,6-7H2,1H3,(H,14,15)(H,16,17)(H2,13,18,19).
What are the key properties of 3-methyl-5-oxo-5-(2-sulfamoylanilino)pentanoic acid?
3-methyl-5-oxo-5-(2-sulfamoylanilino)pentanoic acid has a molecular weight of 300.34 g/mol, XLogP of 0.77, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-oxo-5-(2-sulfamoylanilino)pentanoic acid is sourced from PubChem (CID 62964751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).