(2S)-5-amino-2-(5-hydroxy-1,3-dioxoisoindol-2-yl)-5-oxopentanoic acid

C13H12N2O6 — CID 38988887

IUPAC(2S)-5-amino-2-(5-hydroxy-1,3-dioxoisoindol-2-yl)-5-oxopentanoic acid
SMILESNC(=O)CC[C@@H](C(=O)O)N1C(=O)c2ccc(O)cc2C1=O
InChIInChI=1S/C13H12N2O6/c14-10(17)4-3-9(13(20)21)15-11(18)7-2-1-6(16)5-8(7)12(15)19/h1-2,5,9,16H,3-4H2,(H2,14,17)(H,20,21)/t9-/m0/s1
InChIKeyOMADFDXNAFQWOZ-VIFPVBQESA-N
MW292.25 g/mol
LogP-0.29
Rot. Bonds5

About (2S)-5-amino-2-(5-hydroxy-1,3-dioxoisoindol-2-yl)-5-oxopentanoic acid

(2S)-5-amino-2-(5-hydroxy-1,3-dioxoisoindol-2-yl)-5-oxopentanoic acid (PubChem CID 38988887) has the molecular formula C13H12N2O6 and a molecular weight of 292.25 g/mol. Its IUPAC name is (2S)-5-amino-2-(5-hydroxy-1,3-dioxoisoindol-2-yl)-5-oxopentanoic acid.

Molecular Properties

Compound Name(2S)-5-amino-2-(5-hydroxy-1,3-dioxoisoindol-2-yl)-5-oxopentanoic acid
PubChem CID38988887
Molecular FormulaC13H12N2O6
Molecular Weight292.25 g/mol
Exact Mass292.07
IUPAC Name(2S)-5-amino-2-(5-hydroxy-1,3-dioxoisoindol-2-yl)-5-oxopentanoic acid
SMILESNC(=O)CC[C@@H](C(=O)O)N1C(=O)c2ccc(O)cc2C1=O
InChIInChI=1S/C13H12N2O6/c14-10(17)4-3-9(13(20)21)15-11(18)7-2-1-6(16)5-8(7)12(15)19/h1-2,5,9,16H,3-4H2,(H2,14,17)(H,20,21)/t9-/m0/s1
InChIKeyOMADFDXNAFQWOZ-VIFPVBQESA-N
XLogP-0.29
TPSA138.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.25
LogP ≤ 5-0.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-5-amino-2-(5-hydroxy-1,3-dioxoisoindol-2-yl)-5-oxopentanoic acid?
The IUPAC name of (2S)-5-amino-2-(5-hydroxy-1,3-dioxoisoindol-2-yl)-5-oxopentanoic acid (CID 38988887) is (2S)-5-amino-2-(5-hydroxy-1,3-dioxoisoindol-2-yl)-5-oxopentanoic acid.
What is the SMILES notation for (2S)-5-amino-2-(5-hydroxy-1,3-dioxoisoindol-2-yl)-5-oxopentanoic acid?
The canonical SMILES for (2S)-5-amino-2-(5-hydroxy-1,3-dioxoisoindol-2-yl)-5-oxopentanoic acid is NC(=O)CC[C@@H](C(=O)O)N1C(=O)c2ccc(O)cc2C1=O.
What is the InChIKey of (2S)-5-amino-2-(5-hydroxy-1,3-dioxoisoindol-2-yl)-5-oxopentanoic acid?
The InChIKey is OMADFDXNAFQWOZ-VIFPVBQESA-N. The full InChI is InChI=1S/C13H12N2O6/c14-10(17)4-3-9(13(20)21)15-11(18)7-2-1-6(16)5-8(7)12(15)19/h1-2,5,9,16H,3-4H2,(H2,14,17)(H,20,21)/t9-/m0/s1.
What are the key properties of (2S)-5-amino-2-(5-hydroxy-1,3-dioxoisoindol-2-yl)-5-oxopentanoic acid?
(2S)-5-amino-2-(5-hydroxy-1,3-dioxoisoindol-2-yl)-5-oxopentanoic acid has a molecular weight of 292.25 g/mol, XLogP of -0.29, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-amino-2-(5-hydroxy-1,3-dioxoisoindol-2-yl)-5-oxopentanoic acid is sourced from PubChem (CID 38988887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).