2-hydroxy-2-methyl-3-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]carbamoylamino]propanoic acid

C15H23N3O6S — CID 122074429

IUPAC2-hydroxy-2-methyl-3-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]carbamoylamino]propanoic acid
SMILESCC(C)N(C)S(=O)(=O)c1ccc(NC(=O)NCC(C)(O)C(=O)O)cc1
InChIInChI=1S/C15H23N3O6S/c1-10(2)18(4)25(23,24)12-7-5-11(6-8-12)17-14(21)16-9-15(3,22)13(19)20/h5-8,10,22H,9H2,1-4H3,(H,19,20)(H2,16,17,21)
InChIKeyNVPKPPKVGJZIAU-UHFFFAOYSA-N
MW373.43 g/mol
LogP0.67
Rot. Bonds7

About 2-hydroxy-2-methyl-3-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]carbamoylamino]propanoic acid

2-hydroxy-2-methyl-3-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]carbamoylamino]propanoic acid (PubChem CID 122074429) has the molecular formula C15H23N3O6S and a molecular weight of 373.43 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-3-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]carbamoylamino]propanoic acid.

Molecular Properties

Compound Name2-hydroxy-2-methyl-3-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]carbamoylamino]propanoic acid
PubChem CID122074429
Molecular FormulaC15H23N3O6S
Molecular Weight373.43 g/mol
Exact Mass373.13
IUPAC Name2-hydroxy-2-methyl-3-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]carbamoylamino]propanoic acid
SMILESCC(C)N(C)S(=O)(=O)c1ccc(NC(=O)NCC(C)(O)C(=O)O)cc1
InChIInChI=1S/C15H23N3O6S/c1-10(2)18(4)25(23,24)12-7-5-11(6-8-12)17-14(21)16-9-15(3,22)13(19)20/h5-8,10,22H,9H2,1-4H3,(H,19,20)(H2,16,17,21)
InChIKeyNVPKPPKVGJZIAU-UHFFFAOYSA-N
XLogP0.67
TPSA136.04 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 50.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-hydroxy-2-methyl-3-[(4-propan-2-ylphenyl)carbamoylamino]propanoic acid
CID 66174047
3-[(4-butan-2-yloxyphenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 122077710
2-[4-[methyl(propan-2-yl)sulfamoyl]anilino]-N-phenylacetamide
CID 24616722
2-hydroxy-2-methyl-3-[(4-propoxyphenyl)carbamoylamino]propanoic acid
CID 66174903
2-hydroxy-2-methyl-3-[(3-methyl-4-propan-2-yloxyphenyl)carbamoylamino]propanoic acid
CID 122085546
[2-[4-[methyl(propan-2-yl)sulfamoyl]anilino]-2-oxoethyl] 3,3-dimethylbutanoate
CID 9200014
1-(2,2-dimethylpropyl)-3-(4-methylsulfonylphenyl)urea
CID 110774671
2-(4-methylphenyl)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]acetamide
CID 9224098
2-butylsulfanyl-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]propanamide
CID 60546381
3-[(3-bromo-4-fluorophenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 104780103
3-[[3-chloro-4-(2-methylpropylcarbamoyl)phenyl]carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 122077148
3-[(6-butoxy-3-pyridinyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 122090495

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-3-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]carbamoylamino]propanoic acid?
The IUPAC name of 2-hydroxy-2-methyl-3-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]carbamoylamino]propanoic acid (CID 122074429) is 2-hydroxy-2-methyl-3-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]carbamoylamino]propanoic acid.
What is the SMILES notation for 2-hydroxy-2-methyl-3-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]carbamoylamino]propanoic acid?
The canonical SMILES for 2-hydroxy-2-methyl-3-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]carbamoylamino]propanoic acid is CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)NCC(C)(O)C(=O)O)cc1.
What is the InChIKey of 2-hydroxy-2-methyl-3-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]carbamoylamino]propanoic acid?
The InChIKey is NVPKPPKVGJZIAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O6S/c1-10(2)18(4)25(23,24)12-7-5-11(6-8-12)17-14(21)16-9-15(3,22)13(19)20/h5-8,10,22H,9H2,1-4H3,(H,19,20)(H2,16,17,21).
What are the key properties of 2-hydroxy-2-methyl-3-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]carbamoylamino]propanoic acid?
2-hydroxy-2-methyl-3-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]carbamoylamino]propanoic acid has a molecular weight of 373.43 g/mol, XLogP of 0.67, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methyl-3-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]carbamoylamino]propanoic acid is sourced from PubChem (CID 122074429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).