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

C16H17NO7S — CID 25138184

IUPAC(2R)-2-[(6-methoxynaphthalen-2-yl)sulfonylamino]pentanedioic acid
SMILESCOc1ccc2cc(S(=O)(=O)N[C@H](CCC(=O)O)C(=O)O)ccc2c1
InChIInChI=1S/C16H17NO7S/c1-24-12-4-2-11-9-13(5-3-10(11)8-12)25(22,23)17-14(16(20)21)6-7-15(18)19/h2-5,8-9,14,17H,6-7H2,1H3,(H,18,19)(H,20,21)/t14-/m1/s1
InChIKeySWXZIPZUHIETKZ-CQSZACIVSA-N
MW367.38 g/mol
LogP1.44
Rot. Bonds8

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

(2R)-2-[(6-methoxynaphthalen-2-yl)sulfonylamino]pentanedioic acid (PubChem CID 25138184) has the molecular formula C16H17NO7S and a molecular weight of 367.38 g/mol. Its IUPAC name is (2R)-2-[(6-methoxynaphthalen-2-yl)sulfonylamino]pentanedioic acid.

Molecular Properties

Compound Name(2R)-2-[(6-methoxynaphthalen-2-yl)sulfonylamino]pentanedioic acid
PubChem CID25138184
Molecular FormulaC16H17NO7S
Molecular Weight367.38 g/mol
Exact Mass367.07
IUPAC Name(2R)-2-[(6-methoxynaphthalen-2-yl)sulfonylamino]pentanedioic acid
SMILESCOc1ccc2cc(S(=O)(=O)N[C@H](CCC(=O)O)C(=O)O)ccc2c1
InChIInChI=1S/C16H17NO7S/c1-24-12-4-2-11-9-13(5-3-10(11)8-12)25(22,23)17-14(16(20)21)6-7-15(18)19/h2-5,8-9,14,17H,6-7H2,1H3,(H,18,19)(H,20,21)/t14-/m1/s1
InChIKeySWXZIPZUHIETKZ-CQSZACIVSA-N
XLogP1.44
TPSA130.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(6-methoxynaphthalen-2-yl)sulfonylamino]pentanedioic acid?
The IUPAC name of (2R)-2-[(6-methoxynaphthalen-2-yl)sulfonylamino]pentanedioic acid (CID 25138184) is (2R)-2-[(6-methoxynaphthalen-2-yl)sulfonylamino]pentanedioic acid.
What is the SMILES notation for (2R)-2-[(6-methoxynaphthalen-2-yl)sulfonylamino]pentanedioic acid?
The canonical SMILES for (2R)-2-[(6-methoxynaphthalen-2-yl)sulfonylamino]pentanedioic acid is COc1ccc2cc(S(=O)(=O)N[C@H](CCC(=O)O)C(=O)O)ccc2c1.
What is the InChIKey of (2R)-2-[(6-methoxynaphthalen-2-yl)sulfonylamino]pentanedioic acid?
The InChIKey is SWXZIPZUHIETKZ-CQSZACIVSA-N. The full InChI is InChI=1S/C16H17NO7S/c1-24-12-4-2-11-9-13(5-3-10(11)8-12)25(22,23)17-14(16(20)21)6-7-15(18)19/h2-5,8-9,14,17H,6-7H2,1H3,(H,18,19)(H,20,21)/t14-/m1/s1.
What are the key properties of (2R)-2-[(6-methoxynaphthalen-2-yl)sulfonylamino]pentanedioic acid?
(2R)-2-[(6-methoxynaphthalen-2-yl)sulfonylamino]pentanedioic acid has a molecular weight of 367.38 g/mol, XLogP of 1.44, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(6-methoxynaphthalen-2-yl)sulfonylamino]pentanedioic acid is sourced from PubChem (CID 25138184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).