(2R)-2-[(4-acetamidophenyl)sulfonylamino]pentanedioic acid

C13H16N2O7S — CID 25138182

IUPAC(2R)-2-[(4-acetamidophenyl)sulfonylamino]pentanedioic acid
SMILESCC(=O)Nc1ccc(S(=O)(=O)N[C@H](CCC(=O)O)C(=O)O)cc1
InChIInChI=1S/C13H16N2O7S/c1-8(16)14-9-2-4-10(5-3-9)23(21,22)15-11(13(19)20)6-7-12(17)18/h2-5,11,15H,6-7H2,1H3,(H,14,16)(H,17,18)(H,19,20)/t11-/m1/s1
InChIKeyMHMRNCCXQWLFRC-LLVKDONJSA-N
MW344.35 g/mol
LogP0.24
Rot. Bonds8

About (2R)-2-[(4-acetamidophenyl)sulfonylamino]pentanedioic acid

(2R)-2-[(4-acetamidophenyl)sulfonylamino]pentanedioic acid (PubChem CID 25138182) has the molecular formula C13H16N2O7S and a molecular weight of 344.35 g/mol. Its IUPAC name is (2R)-2-[(4-acetamidophenyl)sulfonylamino]pentanedioic acid.

Molecular Properties

Compound Name(2R)-2-[(4-acetamidophenyl)sulfonylamino]pentanedioic acid
PubChem CID25138182
Molecular FormulaC13H16N2O7S
Molecular Weight344.35 g/mol
Exact Mass344.07
IUPAC Name(2R)-2-[(4-acetamidophenyl)sulfonylamino]pentanedioic acid
SMILESCC(=O)Nc1ccc(S(=O)(=O)N[C@H](CCC(=O)O)C(=O)O)cc1
InChIInChI=1S/C13H16N2O7S/c1-8(16)14-9-2-4-10(5-3-9)23(21,22)15-11(13(19)20)6-7-12(17)18/h2-5,11,15H,6-7H2,1H3,(H,14,16)(H,17,18)(H,19,20)/t11-/m1/s1
InChIKeyMHMRNCCXQWLFRC-LLVKDONJSA-N
XLogP0.24
TPSA149.87 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.35
LogP ≤ 50.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[(4-acetamidophenyl)sulfonylamino]-3-hydroxypropanoic acid
CID 7448579
(2S)-2-[(4-bromophenyl)sulfonylamino]pentanedioic acid
CID 25198912
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-3-phenylpropanoic acid
CID 983566
2-[(4-acetamidophenyl)sulfonylamino]propanoic acid
CID 3393223
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-3-methylbutanoic acid
CID 773550
2-[(4-acetamidophenyl)sulfonylamino]-3-benzylsulfanylpropanoic acid
CID 3827036
6-[(4-acetamidophenyl)sulfonylamino]-2-[[4-(4-bromophenyl)phenyl]sulfonylamino]hexanoic acid
CID 23288409
lithium (2S)-5-hydroxy-2-[(4-methylphenyl)sulfonylamino]-5-oxopentanoate
CID 171479381
(2S)-2-[(3-methylphenyl)sulfonylamino]pentanedioic acid
CID 2422440
(2R)-2-[(4-bromophenyl)sulfonylamino]hexanedioic acid
CID 107266567
N-[4-(butan-2-ylsulfamoyl)phenyl]acetamide
CID 3113473
2-[(3-bromo-4-chlorophenyl)sulfonylamino]pentanedioic acid
CID 106605240

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-acetamidophenyl)sulfonylamino]pentanedioic acid?
The IUPAC name of (2R)-2-[(4-acetamidophenyl)sulfonylamino]pentanedioic acid (CID 25138182) is (2R)-2-[(4-acetamidophenyl)sulfonylamino]pentanedioic acid.
What is the SMILES notation for (2R)-2-[(4-acetamidophenyl)sulfonylamino]pentanedioic acid?
The canonical SMILES for (2R)-2-[(4-acetamidophenyl)sulfonylamino]pentanedioic acid is CC(=O)Nc1ccc(S(=O)(=O)N[C@H](CCC(=O)O)C(=O)O)cc1.
What is the InChIKey of (2R)-2-[(4-acetamidophenyl)sulfonylamino]pentanedioic acid?
The InChIKey is MHMRNCCXQWLFRC-LLVKDONJSA-N. The full InChI is InChI=1S/C13H16N2O7S/c1-8(16)14-9-2-4-10(5-3-9)23(21,22)15-11(13(19)20)6-7-12(17)18/h2-5,11,15H,6-7H2,1H3,(H,14,16)(H,17,18)(H,19,20)/t11-/m1/s1.
What are the key properties of (2R)-2-[(4-acetamidophenyl)sulfonylamino]pentanedioic acid?
(2R)-2-[(4-acetamidophenyl)sulfonylamino]pentanedioic acid has a molecular weight of 344.35 g/mol, XLogP of 0.24, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-acetamidophenyl)sulfonylamino]pentanedioic acid is sourced from PubChem (CID 25138182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).