5-[[(2R)-1-amino-1-oxobutan-2-yl]sulfamoyl]-2-methoxybenzoic acid

C12H16N2O6S — CID 146133028

IUPAC5-[[(2R)-1-amino-1-oxobutan-2-yl]sulfamoyl]-2-methoxybenzoic acid
SMILESCC[C@@H](NS(=O)(=O)c1ccc(OC)c(C(=O)O)c1)C(N)=O
InChIInChI=1S/C12H16N2O6S/c1-3-9(11(13)15)14-21(18,19)7-4-5-10(20-2)8(6-7)12(16)17/h4-6,9,14H,3H2,1-2H3,(H2,13,15)(H,16,17)/t9-/m1/s1
InChIKeyFZXSMCHGJUKMNT-SECBINFHSA-N
MW316.34 g/mol
LogP-0.06
Rot. Bonds7

About 5-[[(2R)-1-amino-1-oxobutan-2-yl]sulfamoyl]-2-methoxybenzoic acid

5-[[(2R)-1-amino-1-oxobutan-2-yl]sulfamoyl]-2-methoxybenzoic acid (PubChem CID 146133028) has the molecular formula C12H16N2O6S and a molecular weight of 316.34 g/mol. Its IUPAC name is 5-[[(2R)-1-amino-1-oxobutan-2-yl]sulfamoyl]-2-methoxybenzoic acid.

Molecular Properties

Compound Name5-[[(2R)-1-amino-1-oxobutan-2-yl]sulfamoyl]-2-methoxybenzoic acid
PubChem CID146133028
Molecular FormulaC12H16N2O6S
Molecular Weight316.34 g/mol
Exact Mass316.07
IUPAC Name5-[[(2R)-1-amino-1-oxobutan-2-yl]sulfamoyl]-2-methoxybenzoic acid
SMILESCC[C@@H](NS(=O)(=O)c1ccc(OC)c(C(=O)O)c1)C(N)=O
InChIInChI=1S/C12H16N2O6S/c1-3-9(11(13)15)14-21(18,19)7-4-5-10(20-2)8(6-7)12(16)17/h4-6,9,14H,3H2,1-2H3,(H2,13,15)(H,16,17)/t9-/m1/s1
InChIKeyFZXSMCHGJUKMNT-SECBINFHSA-N
XLogP-0.06
TPSA135.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-[[(2R)-1-amino-1-oxobutan-2-yl]sulfamoyl]-2-methoxybenzoic acid with MolForge

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Related Compounds

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5-[(1-carboxy-3-methylsulfanylpropyl)sulfamoyl]-2-methoxybenzoic acid
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2-methoxy-5-(pentan-2-ylsulfamoyl)benzoic acid
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5-[[(1R)-1-carboxy-2-methylpropyl]sulfamoyl]-2-methoxybenzoic acid
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2-methoxy-5-(4-methylpentan-2-ylsulfamoyl)benzoic acid
CID 43372088
2-[(3-fluoro-4-methoxyphenyl)sulfonylamino]butanoic acid
CID 43415053
5-[(2-ethoxy-2-oxoethyl)sulfamoyl]-2-methoxybenzoic acid
CID 60812376
5-(1,3-dihydroxypropan-2-ylsulfamoyl)-2-methoxybenzamide
CID 65314128
5-(2-ethylbutylsulfonyl)-2-methoxybenzoic acid
CID 82928650
2-methoxy-5-(prop-2-ynylsulfamoyl)benzoic acid
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5-(1-aminopentan-2-ylsulfamoyl)-2-methoxybenzamide
CID 65192963

Frequently Asked Questions

What is the IUPAC name of 5-[[(2R)-1-amino-1-oxobutan-2-yl]sulfamoyl]-2-methoxybenzoic acid?
The IUPAC name of 5-[[(2R)-1-amino-1-oxobutan-2-yl]sulfamoyl]-2-methoxybenzoic acid (CID 146133028) is 5-[[(2R)-1-amino-1-oxobutan-2-yl]sulfamoyl]-2-methoxybenzoic acid.
What is the SMILES notation for 5-[[(2R)-1-amino-1-oxobutan-2-yl]sulfamoyl]-2-methoxybenzoic acid?
The canonical SMILES for 5-[[(2R)-1-amino-1-oxobutan-2-yl]sulfamoyl]-2-methoxybenzoic acid is CC[C@@H](NS(=O)(=O)c1ccc(OC)c(C(=O)O)c1)C(N)=O.
What is the InChIKey of 5-[[(2R)-1-amino-1-oxobutan-2-yl]sulfamoyl]-2-methoxybenzoic acid?
The InChIKey is FZXSMCHGJUKMNT-SECBINFHSA-N. The full InChI is InChI=1S/C12H16N2O6S/c1-3-9(11(13)15)14-21(18,19)7-4-5-10(20-2)8(6-7)12(16)17/h4-6,9,14H,3H2,1-2H3,(H2,13,15)(H,16,17)/t9-/m1/s1.
What are the key properties of 5-[[(2R)-1-amino-1-oxobutan-2-yl]sulfamoyl]-2-methoxybenzoic acid?
5-[[(2R)-1-amino-1-oxobutan-2-yl]sulfamoyl]-2-methoxybenzoic acid has a molecular weight of 316.34 g/mol, XLogP of -0.06, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2R)-1-amino-1-oxobutan-2-yl]sulfamoyl]-2-methoxybenzoic acid is sourced from PubChem (CID 146133028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).