2-[(3-methoxycarbonylphenyl)sulfonylamino]pentanoic acid

C13H17NO6S — CID 43631243

IUPAC2-[(3-methoxycarbonylphenyl)sulfonylamino]pentanoic acid
SMILESCCCC(NS(=O)(=O)c1cccc(C(=O)OC)c1)C(=O)O
InChIInChI=1S/C13H17NO6S/c1-3-5-11(12(15)16)14-21(18,19)10-7-4-6-9(8-10)13(17)20-2/h4,6-8,11,14H,3,5H2,1-2H3,(H,15,16)
InChIKeyZNSOAUKRIRGEGD-UHFFFAOYSA-N
MW315.35 g/mol
LogP1.00
Rot. Bonds7

About 2-[(3-methoxycarbonylphenyl)sulfonylamino]pentanoic acid

2-[(3-methoxycarbonylphenyl)sulfonylamino]pentanoic acid (PubChem CID 43631243) has the molecular formula C13H17NO6S and a molecular weight of 315.35 g/mol. Its IUPAC name is 2-[(3-methoxycarbonylphenyl)sulfonylamino]pentanoic acid.

Molecular Properties

Compound Name2-[(3-methoxycarbonylphenyl)sulfonylamino]pentanoic acid
PubChem CID43631243
Molecular FormulaC13H17NO6S
Molecular Weight315.35 g/mol
Exact Mass315.08
IUPAC Name2-[(3-methoxycarbonylphenyl)sulfonylamino]pentanoic acid
SMILESCCCC(NS(=O)(=O)c1cccc(C(=O)OC)c1)C(=O)O
InChIInChI=1S/C13H17NO6S/c1-3-5-11(12(15)16)14-21(18,19)10-7-4-6-9(8-10)13(17)20-2/h4,6-8,11,14H,3,5H2,1-2H3,(H,15,16)
InChIKeyZNSOAUKRIRGEGD-UHFFFAOYSA-N
XLogP1.00
TPSA109.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-chlorophenyl)sulfonylamino]pentanoic acid
CID 43631155
2-[(3-acetylphenyl)sulfonylamino]hexanoic acid
CID 43386720
(2R)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]pentanoic acid
CID 104935432
methyl 3-[[(2S)-4-phenylbutan-2-yl]sulfamoyl]benzoate
CID 31700850
(2S)-2-hydroxy-4-[(3-methoxycarbonylphenyl)sulfonylamino]butanoic acid
CID 104933997
sodium methyl 3-[(3-methoxycarbonylphenyl)sulfonylsulfamoyl]benzoate
CID 21124986
2-[(3-chlorophenyl)sulfonylamino]hexanoic acid
CID 43386716
2-[(3-ethoxycarbonyl-4-methylphenyl)sulfonylamino]pentanoic acid
CID 120968689
(2S)-2-[(3-methylphenyl)sulfonylamino]pentanedioic acid
CID 2422440
(2R)-2-(pyridin-3-ylsulfonylamino)pentanoic acid
CID 104935414
methyl 3-[[(1S)-1-(2-methylphenyl)propyl]sulfamoyl]benzoate
CID 100538266
methyl 3-(3-hydroxybutylsulfamoyl)benzoate
CID 64913335

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxycarbonylphenyl)sulfonylamino]pentanoic acid?
The IUPAC name of 2-[(3-methoxycarbonylphenyl)sulfonylamino]pentanoic acid (CID 43631243) is 2-[(3-methoxycarbonylphenyl)sulfonylamino]pentanoic acid.
What is the SMILES notation for 2-[(3-methoxycarbonylphenyl)sulfonylamino]pentanoic acid?
The canonical SMILES for 2-[(3-methoxycarbonylphenyl)sulfonylamino]pentanoic acid is CCCC(NS(=O)(=O)c1cccc(C(=O)OC)c1)C(=O)O.
What is the InChIKey of 2-[(3-methoxycarbonylphenyl)sulfonylamino]pentanoic acid?
The InChIKey is ZNSOAUKRIRGEGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO6S/c1-3-5-11(12(15)16)14-21(18,19)10-7-4-6-9(8-10)13(17)20-2/h4,6-8,11,14H,3,5H2,1-2H3,(H,15,16).
What are the key properties of 2-[(3-methoxycarbonylphenyl)sulfonylamino]pentanoic acid?
2-[(3-methoxycarbonylphenyl)sulfonylamino]pentanoic acid has a molecular weight of 315.35 g/mol, XLogP of 1.00, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxycarbonylphenyl)sulfonylamino]pentanoic acid is sourced from PubChem (CID 43631243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).