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

C18H21NO7S — CID 25138185

IUPAC(2R)-2-[(6-propoxynaphthalen-2-yl)sulfonylamino]pentanedioic acid
SMILESCCCOc1ccc2cc(S(=O)(=O)N[C@H](CCC(=O)O)C(=O)O)ccc2c1
InChIInChI=1S/C18H21NO7S/c1-2-9-26-14-5-3-13-11-15(6-4-12(13)10-14)27(24,25)19-16(18(22)23)7-8-17(20)21/h3-6,10-11,16,19H,2,7-9H2,1H3,(H,20,21)(H,22,23)/t16-/m1/s1
InChIKeyUFGCXZMCRZDZQP-MRXNPFEDSA-N
MW395.43 g/mol
LogP2.22
Rot. Bonds10

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

(2R)-2-[(6-propoxynaphthalen-2-yl)sulfonylamino]pentanedioic acid (PubChem CID 25138185) has the molecular formula C18H21NO7S and a molecular weight of 395.43 g/mol. Its IUPAC name is (2R)-2-[(6-propoxynaphthalen-2-yl)sulfonylamino]pentanedioic acid.

Molecular Properties

Compound Name(2R)-2-[(6-propoxynaphthalen-2-yl)sulfonylamino]pentanedioic acid
PubChem CID25138185
Molecular FormulaC18H21NO7S
Molecular Weight395.43 g/mol
Exact Mass395.10
IUPAC Name(2R)-2-[(6-propoxynaphthalen-2-yl)sulfonylamino]pentanedioic acid
SMILESCCCOc1ccc2cc(S(=O)(=O)N[C@H](CCC(=O)O)C(=O)O)ccc2c1
InChIInChI=1S/C18H21NO7S/c1-2-9-26-14-5-3-13-11-15(6-4-12(13)10-14)27(24,25)19-16(18(22)23)7-8-17(20)21/h3-6,10-11,16,19H,2,7-9H2,1H3,(H,20,21)(H,22,23)/t16-/m1/s1
InChIKeyUFGCXZMCRZDZQP-MRXNPFEDSA-N
XLogP2.22
TPSA130.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(6-propoxynaphthalen-2-yl)sulfonylamino]pentanedioic acid?
The IUPAC name of (2R)-2-[(6-propoxynaphthalen-2-yl)sulfonylamino]pentanedioic acid (CID 25138185) is (2R)-2-[(6-propoxynaphthalen-2-yl)sulfonylamino]pentanedioic acid.
What is the SMILES notation for (2R)-2-[(6-propoxynaphthalen-2-yl)sulfonylamino]pentanedioic acid?
The canonical SMILES for (2R)-2-[(6-propoxynaphthalen-2-yl)sulfonylamino]pentanedioic acid is CCCOc1ccc2cc(S(=O)(=O)N[C@H](CCC(=O)O)C(=O)O)ccc2c1.
What is the InChIKey of (2R)-2-[(6-propoxynaphthalen-2-yl)sulfonylamino]pentanedioic acid?
The InChIKey is UFGCXZMCRZDZQP-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H21NO7S/c1-2-9-26-14-5-3-13-11-15(6-4-12(13)10-14)27(24,25)19-16(18(22)23)7-8-17(20)21/h3-6,10-11,16,19H,2,7-9H2,1H3,(H,20,21)(H,22,23)/t16-/m1/s1.
What are the key properties of (2R)-2-[(6-propoxynaphthalen-2-yl)sulfonylamino]pentanedioic acid?
(2R)-2-[(6-propoxynaphthalen-2-yl)sulfonylamino]pentanedioic acid has a molecular weight of 395.43 g/mol, XLogP of 2.22, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(6-propoxynaphthalen-2-yl)sulfonylamino]pentanedioic acid is sourced from PubChem (CID 25138185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).