5-amino-2-(1,3-dioxoisoindol-2-yl)-3,3,4,4-tetramethyl-5-oxopentanoic acid

C17H20N2O5 — CID 66678739

IUPAC5-amino-2-(1,3-dioxoisoindol-2-yl)-3,3,4,4-tetramethyl-5-oxopentanoic acid
SMILESCC(C)(C(N)=O)C(C)(C)C(C(=O)O)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C17H20N2O5/c1-16(2,17(3,4)15(18)24)11(14(22)23)19-12(20)9-7-5-6-8-10(9)13(19)21/h5-8,11H,1-4H3,(H2,18,24)(H,22,23)
InChIKeyLZLBCYUVWOQWPY-UHFFFAOYSA-N
MW332.36 g/mol
LogP1.27
Rot. Bonds5

About 5-amino-2-(1,3-dioxoisoindol-2-yl)-3,3,4,4-tetramethyl-5-oxopentanoic acid

5-amino-2-(1,3-dioxoisoindol-2-yl)-3,3,4,4-tetramethyl-5-oxopentanoic acid (PubChem CID 66678739) has the molecular formula C17H20N2O5 and a molecular weight of 332.36 g/mol. Its IUPAC name is 5-amino-2-(1,3-dioxoisoindol-2-yl)-3,3,4,4-tetramethyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-amino-2-(1,3-dioxoisoindol-2-yl)-3,3,4,4-tetramethyl-5-oxopentanoic acid
PubChem CID66678739
Molecular FormulaC17H20N2O5
Molecular Weight332.36 g/mol
Exact Mass332.14
IUPAC Name5-amino-2-(1,3-dioxoisoindol-2-yl)-3,3,4,4-tetramethyl-5-oxopentanoic acid
SMILESCC(C)(C(N)=O)C(C)(C)C(C(=O)O)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C17H20N2O5/c1-16(2,17(3,4)15(18)24)11(14(22)23)19-12(20)9-7-5-6-8-10(9)13(19)21/h5-8,11H,1-4H3,(H2,18,24)(H,22,23)
InChIKeyLZLBCYUVWOQWPY-UHFFFAOYSA-N
XLogP1.27
TPSA117.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 51.27
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 5-amino-2-(1,3-dioxoisoindol-2-yl)-3,3,4,4-tetramethyl-5-oxopentanoic acid?
The IUPAC name of 5-amino-2-(1,3-dioxoisoindol-2-yl)-3,3,4,4-tetramethyl-5-oxopentanoic acid (CID 66678739) is 5-amino-2-(1,3-dioxoisoindol-2-yl)-3,3,4,4-tetramethyl-5-oxopentanoic acid.
What is the SMILES notation for 5-amino-2-(1,3-dioxoisoindol-2-yl)-3,3,4,4-tetramethyl-5-oxopentanoic acid?
The canonical SMILES for 5-amino-2-(1,3-dioxoisoindol-2-yl)-3,3,4,4-tetramethyl-5-oxopentanoic acid is CC(C)(C(N)=O)C(C)(C)C(C(=O)O)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 5-amino-2-(1,3-dioxoisoindol-2-yl)-3,3,4,4-tetramethyl-5-oxopentanoic acid?
The InChIKey is LZLBCYUVWOQWPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O5/c1-16(2,17(3,4)15(18)24)11(14(22)23)19-12(20)9-7-5-6-8-10(9)13(19)21/h5-8,11H,1-4H3,(H2,18,24)(H,22,23).
What are the key properties of 5-amino-2-(1,3-dioxoisoindol-2-yl)-3,3,4,4-tetramethyl-5-oxopentanoic acid?
5-amino-2-(1,3-dioxoisoindol-2-yl)-3,3,4,4-tetramethyl-5-oxopentanoic acid has a molecular weight of 332.36 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(1,3-dioxoisoindol-2-yl)-3,3,4,4-tetramethyl-5-oxopentanoic acid is sourced from PubChem (CID 66678739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).