2-[(1R)-1-carboxy-2-naphthalen-2-ylethyl]-1,3-dioxoisoindole-5-carboxylic acid

C22H15NO6 — CID 16752641

IUPAC2-[(1R)-1-carboxy-2-naphthalen-2-ylethyl]-1,3-dioxoisoindole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)C(=O)N([C@H](Cc1ccc3ccccc3c1)C(=O)O)C2=O
InChIInChI=1S/C22H15NO6/c24-19-16-8-7-15(21(26)27)11-17(16)20(25)23(19)18(22(28)29)10-12-5-6-13-3-1-2-4-14(13)9-12/h1-9,11,18H,10H2,(H,26,27)(H,28,29)/t18-/m1/s1
InChIKeyXRVAOQLAEMOSRB-GOSISDBHSA-N
MW389.36 g/mol
LogP2.83
Rot. Bonds5

About 2-[(1R)-1-carboxy-2-naphthalen-2-ylethyl]-1,3-dioxoisoindole-5-carboxylic acid

2-[(1R)-1-carboxy-2-naphthalen-2-ylethyl]-1,3-dioxoisoindole-5-carboxylic acid (PubChem CID 16752641) has the molecular formula C22H15NO6 and a molecular weight of 389.36 g/mol. Its IUPAC name is 2-[(1R)-1-carboxy-2-naphthalen-2-ylethyl]-1,3-dioxoisoindole-5-carboxylic acid.

Molecular Properties

Compound Name2-[(1R)-1-carboxy-2-naphthalen-2-ylethyl]-1,3-dioxoisoindole-5-carboxylic acid
PubChem CID16752641
Molecular FormulaC22H15NO6
Molecular Weight389.36 g/mol
Exact Mass389.09
IUPAC Name2-[(1R)-1-carboxy-2-naphthalen-2-ylethyl]-1,3-dioxoisoindole-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)C(=O)N([C@H](Cc1ccc3ccccc3c1)C(=O)O)C2=O
InChIInChI=1S/C22H15NO6/c24-19-16-8-7-15(21(26)27)11-17(16)20(25)23(19)18(22(28)29)10-12-5-6-13-3-1-2-4-14(13)9-12/h1-9,11,18H,10H2,(H,26,27)(H,28,29)/t18-/m1/s1
InChIKeyXRVAOQLAEMOSRB-GOSISDBHSA-N
XLogP2.83
TPSA111.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.36
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-carboxy-2-naphthalen-2-ylethyl]-1,3-dioxoisoindole-5-carboxylic acid?
The IUPAC name of 2-[(1R)-1-carboxy-2-naphthalen-2-ylethyl]-1,3-dioxoisoindole-5-carboxylic acid (CID 16752641) is 2-[(1R)-1-carboxy-2-naphthalen-2-ylethyl]-1,3-dioxoisoindole-5-carboxylic acid.
What is the SMILES notation for 2-[(1R)-1-carboxy-2-naphthalen-2-ylethyl]-1,3-dioxoisoindole-5-carboxylic acid?
The canonical SMILES for 2-[(1R)-1-carboxy-2-naphthalen-2-ylethyl]-1,3-dioxoisoindole-5-carboxylic acid is O=C(O)c1ccc2c(c1)C(=O)N([C@H](Cc1ccc3ccccc3c1)C(=O)O)C2=O.
What is the InChIKey of 2-[(1R)-1-carboxy-2-naphthalen-2-ylethyl]-1,3-dioxoisoindole-5-carboxylic acid?
The InChIKey is XRVAOQLAEMOSRB-GOSISDBHSA-N. The full InChI is InChI=1S/C22H15NO6/c24-19-16-8-7-15(21(26)27)11-17(16)20(25)23(19)18(22(28)29)10-12-5-6-13-3-1-2-4-14(13)9-12/h1-9,11,18H,10H2,(H,26,27)(H,28,29)/t18-/m1/s1.
What are the key properties of 2-[(1R)-1-carboxy-2-naphthalen-2-ylethyl]-1,3-dioxoisoindole-5-carboxylic acid?
2-[(1R)-1-carboxy-2-naphthalen-2-ylethyl]-1,3-dioxoisoindole-5-carboxylic acid has a molecular weight of 389.36 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-carboxy-2-naphthalen-2-ylethyl]-1,3-dioxoisoindole-5-carboxylic acid is sourced from PubChem (CID 16752641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).