(2R)-2-[[6-(carboxymethoxy)naphthalen-2-yl]sulfonylamino]pentanedioic acid

C17H17NO9S — CID 25138188

IUPAC(2R)-2-[[6-(carboxymethoxy)naphthalen-2-yl]sulfonylamino]pentanedioic acid
SMILESO=C(O)CC[C@@H](NS(=O)(=O)c1ccc2cc(OCC(=O)O)ccc2c1)C(=O)O
InChIInChI=1S/C17H17NO9S/c19-15(20)6-5-14(17(23)24)18-28(25,26)13-4-2-10-7-12(27-9-16(21)22)3-1-11(10)8-13/h1-4,7-8,14,18H,5-6,9H2,(H,19,20)(H,21,22)(H,23,24)/t14-/m1/s1
InChIKeyWQEJAZQQVUSQPP-CQSZACIVSA-N
MW411.39 g/mol
LogP0.90
Rot. Bonds10

About (2R)-2-[[6-(carboxymethoxy)naphthalen-2-yl]sulfonylamino]pentanedioic acid

(2R)-2-[[6-(carboxymethoxy)naphthalen-2-yl]sulfonylamino]pentanedioic acid (PubChem CID 25138188) has the molecular formula C17H17NO9S and a molecular weight of 411.39 g/mol. Its IUPAC name is (2R)-2-[[6-(carboxymethoxy)naphthalen-2-yl]sulfonylamino]pentanedioic acid.

Molecular Properties

Compound Name(2R)-2-[[6-(carboxymethoxy)naphthalen-2-yl]sulfonylamino]pentanedioic acid
PubChem CID25138188
Molecular FormulaC17H17NO9S
Molecular Weight411.39 g/mol
Exact Mass411.06
IUPAC Name(2R)-2-[[6-(carboxymethoxy)naphthalen-2-yl]sulfonylamino]pentanedioic acid
SMILESO=C(O)CC[C@@H](NS(=O)(=O)c1ccc2cc(OCC(=O)O)ccc2c1)C(=O)O
InChIInChI=1S/C17H17NO9S/c19-15(20)6-5-14(17(23)24)18-28(25,26)13-4-2-10-7-12(27-9-16(21)22)3-1-11(10)8-13/h1-4,7-8,14,18H,5-6,9H2,(H,19,20)(H,21,22)(H,23,24)/t14-/m1/s1
InChIKeyWQEJAZQQVUSQPP-CQSZACIVSA-N
XLogP0.90
TPSA167.30 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.39
LogP ≤ 50.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[6-(carboxymethoxy)naphthalen-2-yl]sulfonylamino]pentanedioic acid?
The IUPAC name of (2R)-2-[[6-(carboxymethoxy)naphthalen-2-yl]sulfonylamino]pentanedioic acid (CID 25138188) is (2R)-2-[[6-(carboxymethoxy)naphthalen-2-yl]sulfonylamino]pentanedioic acid.
What is the SMILES notation for (2R)-2-[[6-(carboxymethoxy)naphthalen-2-yl]sulfonylamino]pentanedioic acid?
The canonical SMILES for (2R)-2-[[6-(carboxymethoxy)naphthalen-2-yl]sulfonylamino]pentanedioic acid is O=C(O)CC[C@@H](NS(=O)(=O)c1ccc2cc(OCC(=O)O)ccc2c1)C(=O)O.
What is the InChIKey of (2R)-2-[[6-(carboxymethoxy)naphthalen-2-yl]sulfonylamino]pentanedioic acid?
The InChIKey is WQEJAZQQVUSQPP-CQSZACIVSA-N. The full InChI is InChI=1S/C17H17NO9S/c19-15(20)6-5-14(17(23)24)18-28(25,26)13-4-2-10-7-12(27-9-16(21)22)3-1-11(10)8-13/h1-4,7-8,14,18H,5-6,9H2,(H,19,20)(H,21,22)(H,23,24)/t14-/m1/s1.
What are the key properties of (2R)-2-[[6-(carboxymethoxy)naphthalen-2-yl]sulfonylamino]pentanedioic acid?
(2R)-2-[[6-(carboxymethoxy)naphthalen-2-yl]sulfonylamino]pentanedioic acid has a molecular weight of 411.39 g/mol, XLogP of 0.90, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[6-(carboxymethoxy)naphthalen-2-yl]sulfonylamino]pentanedioic acid is sourced from PubChem (CID 25138188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).