(2R)-2-[(6-butoxynaphthalene-2-carbonyl)amino]pentanedioic acid

C20H23NO6 — CID 25138197

IUPAC(2R)-2-[(6-butoxynaphthalene-2-carbonyl)amino]pentanedioic acid
SMILESCCCCOc1ccc2cc(C(=O)N[C@H](CCC(=O)O)C(=O)O)ccc2c1
InChIInChI=1S/C20H23NO6/c1-2-3-10-27-16-7-6-13-11-15(5-4-14(13)12-16)19(24)21-17(20(25)26)8-9-18(22)23/h4-7,11-12,17H,2-3,8-10H2,1H3,(H,21,24)(H,22,23)(H,25,26)/t17-/m1/s1
InChIKeyKULGHLOZTNNQMF-QGZVFWFLSA-N
MW373.41 g/mol
LogP3.07
Rot. Bonds10

About (2R)-2-[(6-butoxynaphthalene-2-carbonyl)amino]pentanedioic acid

(2R)-2-[(6-butoxynaphthalene-2-carbonyl)amino]pentanedioic acid (PubChem CID 25138197) has the molecular formula C20H23NO6 and a molecular weight of 373.41 g/mol. Its IUPAC name is (2R)-2-[(6-butoxynaphthalene-2-carbonyl)amino]pentanedioic acid.

Molecular Properties

Compound Name(2R)-2-[(6-butoxynaphthalene-2-carbonyl)amino]pentanedioic acid
PubChem CID25138197
Molecular FormulaC20H23NO6
Molecular Weight373.41 g/mol
Exact Mass373.15
IUPAC Name(2R)-2-[(6-butoxynaphthalene-2-carbonyl)amino]pentanedioic acid
SMILESCCCCOc1ccc2cc(C(=O)N[C@H](CCC(=O)O)C(=O)O)ccc2c1
InChIInChI=1S/C20H23NO6/c1-2-3-10-27-16-7-6-13-11-15(5-4-14(13)12-16)19(24)21-17(20(25)26)8-9-18(22)23/h4-7,11-12,17H,2-3,8-10H2,1H3,(H,21,24)(H,22,23)(H,25,26)/t17-/m1/s1
InChIKeyKULGHLOZTNNQMF-QGZVFWFLSA-N
XLogP3.07
TPSA112.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(6-butoxynaphthalene-2-carbonyl)amino]pentanedioic acid?
The IUPAC name of (2R)-2-[(6-butoxynaphthalene-2-carbonyl)amino]pentanedioic acid (CID 25138197) is (2R)-2-[(6-butoxynaphthalene-2-carbonyl)amino]pentanedioic acid.
What is the SMILES notation for (2R)-2-[(6-butoxynaphthalene-2-carbonyl)amino]pentanedioic acid?
The canonical SMILES for (2R)-2-[(6-butoxynaphthalene-2-carbonyl)amino]pentanedioic acid is CCCCOc1ccc2cc(C(=O)N[C@H](CCC(=O)O)C(=O)O)ccc2c1.
What is the InChIKey of (2R)-2-[(6-butoxynaphthalene-2-carbonyl)amino]pentanedioic acid?
The InChIKey is KULGHLOZTNNQMF-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H23NO6/c1-2-3-10-27-16-7-6-13-11-15(5-4-14(13)12-16)19(24)21-17(20(25)26)8-9-18(22)23/h4-7,11-12,17H,2-3,8-10H2,1H3,(H,21,24)(H,22,23)(H,25,26)/t17-/m1/s1.
What are the key properties of (2R)-2-[(6-butoxynaphthalene-2-carbonyl)amino]pentanedioic acid?
(2R)-2-[(6-butoxynaphthalene-2-carbonyl)amino]pentanedioic acid has a molecular weight of 373.41 g/mol, XLogP of 3.07, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(6-butoxynaphthalene-2-carbonyl)amino]pentanedioic acid is sourced from PubChem (CID 25138197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).