(2R)-2-[(2-naphthalen-2-yloxyacetyl)amino]pentanedioic acid

C17H17NO6 — CID 25138177

IUPAC(2R)-2-[(2-naphthalen-2-yloxyacetyl)amino]pentanedioic acid
SMILESO=C(O)CC[C@@H](NC(=O)COc1ccc2ccccc2c1)C(=O)O
InChIInChI=1S/C17H17NO6/c19-15(18-14(17(22)23)7-8-16(20)21)10-24-13-6-5-11-3-1-2-4-12(11)9-13/h1-6,9,14H,7-8,10H2,(H,18,19)(H,20,21)(H,22,23)/t14-/m1/s1
InChIKeyJHAHLAYGYFLEHP-CQSZACIVSA-N
MW331.32 g/mol
LogP1.65
Rot. Bonds8

About (2R)-2-[(2-naphthalen-2-yloxyacetyl)amino]pentanedioic acid

(2R)-2-[(2-naphthalen-2-yloxyacetyl)amino]pentanedioic acid (PubChem CID 25138177) has the molecular formula C17H17NO6 and a molecular weight of 331.32 g/mol. Its IUPAC name is (2R)-2-[(2-naphthalen-2-yloxyacetyl)amino]pentanedioic acid.

Molecular Properties

Compound Name(2R)-2-[(2-naphthalen-2-yloxyacetyl)amino]pentanedioic acid
PubChem CID25138177
Molecular FormulaC17H17NO6
Molecular Weight331.32 g/mol
Exact Mass331.11
IUPAC Name(2R)-2-[(2-naphthalen-2-yloxyacetyl)amino]pentanedioic acid
SMILESO=C(O)CC[C@@H](NC(=O)COc1ccc2ccccc2c1)C(=O)O
InChIInChI=1S/C17H17NO6/c19-15(18-14(17(22)23)7-8-16(20)21)10-24-13-6-5-11-3-1-2-4-12(11)9-13/h1-6,9,14H,7-8,10H2,(H,18,19)(H,20,21)(H,22,23)/t14-/m1/s1
InChIKeyJHAHLAYGYFLEHP-CQSZACIVSA-N
XLogP1.65
TPSA112.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.32
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-naphthalen-2-yloxyacetyl)amino]pentanedioic acid?
The IUPAC name of (2R)-2-[(2-naphthalen-2-yloxyacetyl)amino]pentanedioic acid (CID 25138177) is (2R)-2-[(2-naphthalen-2-yloxyacetyl)amino]pentanedioic acid.
What is the SMILES notation for (2R)-2-[(2-naphthalen-2-yloxyacetyl)amino]pentanedioic acid?
The canonical SMILES for (2R)-2-[(2-naphthalen-2-yloxyacetyl)amino]pentanedioic acid is O=C(O)CC[C@@H](NC(=O)COc1ccc2ccccc2c1)C(=O)O.
What is the InChIKey of (2R)-2-[(2-naphthalen-2-yloxyacetyl)amino]pentanedioic acid?
The InChIKey is JHAHLAYGYFLEHP-CQSZACIVSA-N. The full InChI is InChI=1S/C17H17NO6/c19-15(18-14(17(22)23)7-8-16(20)21)10-24-13-6-5-11-3-1-2-4-12(11)9-13/h1-6,9,14H,7-8,10H2,(H,18,19)(H,20,21)(H,22,23)/t14-/m1/s1.
What are the key properties of (2R)-2-[(2-naphthalen-2-yloxyacetyl)amino]pentanedioic acid?
(2R)-2-[(2-naphthalen-2-yloxyacetyl)amino]pentanedioic acid has a molecular weight of 331.32 g/mol, XLogP of 1.65, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-naphthalen-2-yloxyacetyl)amino]pentanedioic acid is sourced from PubChem (CID 25138177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).