(2R)-2-(benzylsulfonylamino)pentanedioic acid

C12H15NO6S — CID 25138181

IUPAC(2R)-2-(benzylsulfonylamino)pentanedioic acid
SMILESO=C(O)CC[C@@H](NS(=O)(=O)Cc1ccccc1)C(=O)O
InChIInChI=1S/C12H15NO6S/c14-11(15)7-6-10(12(16)17)13-20(18,19)8-9-4-2-1-3-5-9/h1-5,10,13H,6-8H2,(H,14,15)(H,16,17)/t10-/m1/s1
InChIKeyZCOVHLPDAJWNFS-SNVBAGLBSA-N
MW301.32 g/mol
LogP0.42
Rot. Bonds8

About (2R)-2-(benzylsulfonylamino)pentanedioic acid

(2R)-2-(benzylsulfonylamino)pentanedioic acid (PubChem CID 25138181) has the molecular formula C12H15NO6S and a molecular weight of 301.32 g/mol. Its IUPAC name is (2R)-2-(benzylsulfonylamino)pentanedioic acid.

Molecular Properties

Compound Name(2R)-2-(benzylsulfonylamino)pentanedioic acid
PubChem CID25138181
Molecular FormulaC12H15NO6S
Molecular Weight301.32 g/mol
Exact Mass301.06
IUPAC Name(2R)-2-(benzylsulfonylamino)pentanedioic acid
SMILESO=C(O)CC[C@@H](NS(=O)(=O)Cc1ccccc1)C(=O)O
InChIInChI=1S/C12H15NO6S/c14-11(15)7-6-10(12(16)17)13-20(18,19)8-9-4-2-1-3-5-9/h1-5,10,13H,6-8H2,(H,14,15)(H,16,17)/t10-/m1/s1
InChIKeyZCOVHLPDAJWNFS-SNVBAGLBSA-N
XLogP0.42
TPSA120.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(benzylsulfonylamino)pentanedioic acid?
The IUPAC name of (2R)-2-(benzylsulfonylamino)pentanedioic acid (CID 25138181) is (2R)-2-(benzylsulfonylamino)pentanedioic acid.
What is the SMILES notation for (2R)-2-(benzylsulfonylamino)pentanedioic acid?
The canonical SMILES for (2R)-2-(benzylsulfonylamino)pentanedioic acid is O=C(O)CC[C@@H](NS(=O)(=O)Cc1ccccc1)C(=O)O.
What is the InChIKey of (2R)-2-(benzylsulfonylamino)pentanedioic acid?
The InChIKey is ZCOVHLPDAJWNFS-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H15NO6S/c14-11(15)7-6-10(12(16)17)13-20(18,19)8-9-4-2-1-3-5-9/h1-5,10,13H,6-8H2,(H,14,15)(H,16,17)/t10-/m1/s1.
What are the key properties of (2R)-2-(benzylsulfonylamino)pentanedioic acid?
(2R)-2-(benzylsulfonylamino)pentanedioic acid has a molecular weight of 301.32 g/mol, XLogP of 0.42, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(benzylsulfonylamino)pentanedioic acid is sourced from PubChem (CID 25138181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).