2-[(1,3-dioxoisoindol-2-yl)amino]pentanedioic acid

C13H12N2O6 — CID 175505324

IUPAC2-[(1,3-dioxoisoindol-2-yl)amino]pentanedioic acid
SMILESO=C(O)CCC(NN1C(=O)c2ccccc2C1=O)C(=O)O
InChIInChI=1S/C13H12N2O6/c16-10(17)6-5-9(13(20)21)14-15-11(18)7-3-1-2-4-8(7)12(15)19/h1-4,9,14H,5-6H2,(H,16,17)(H,20,21)
InChIKeyQESRTQOQGXRUDW-UHFFFAOYSA-N
MW292.25 g/mol
LogP0.11
Rot. Bonds6

About 2-[(1,3-dioxoisoindol-2-yl)amino]pentanedioic acid

2-[(1,3-dioxoisoindol-2-yl)amino]pentanedioic acid (PubChem CID 175505324) has the molecular formula C13H12N2O6 and a molecular weight of 292.25 g/mol. Its IUPAC name is 2-[(1,3-dioxoisoindol-2-yl)amino]pentanedioic acid.

Molecular Properties

Compound Name2-[(1,3-dioxoisoindol-2-yl)amino]pentanedioic acid
PubChem CID175505324
Molecular FormulaC13H12N2O6
Molecular Weight292.25 g/mol
Exact Mass292.07
IUPAC Name2-[(1,3-dioxoisoindol-2-yl)amino]pentanedioic acid
SMILESO=C(O)CCC(NN1C(=O)c2ccccc2C1=O)C(=O)O
InChIInChI=1S/C13H12N2O6/c16-10(17)6-5-9(13(20)21)14-15-11(18)7-3-1-2-4-8(7)12(15)19/h1-4,9,14H,5-6H2,(H,16,17)(H,20,21)
InChIKeyQESRTQOQGXRUDW-UHFFFAOYSA-N
XLogP0.11
TPSA124.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.25
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(1,3-dioxoisoindol-2-yl)-3-oxohexanedioic acid
CID 11738280
5-(1,3-dioxoisoindol-2-yl)hexanoic acid
CID 15847422
N-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide
CID 142645113
(2S)-2-(phenacylamino)pentanedioic acid
CID 151542302
(2S)-2-[[benzyl(hydroxy)phosphanyl]amino]pentanedioic acid
CID 141452800
(2S)-2-[[(2S)-2-[(1,3-dioxoisoindol-2-yl)amino]-3-thiophen-2-ylpropanoyl]amino]-6-hydroxyhexanoic acid
CID 54308672
5-(1,3-dioxoisoindol-2-yl)-4-oxopentanoic acid
CID 15049038
2-[[ethyl(phenyl)carbamoyl]amino]pentanedioic acid
CID 61191995
(2S)-2-[(2,5-dioxopyrrol-1-yl)amino]butanedioic acid
CID 175430789
2-[[(2S,3S)-3-hydroxybutan-2-yl]amino]isoindole-1,3-dione
CID 134896930
2-(1,3-dioxoinden-2-yl)pentanedioic acid
CID 91370261
3-[3-(1,3-dioxoisoindol-2-yl)propyl-methylamino]propanoic acid
CID 82224048

Frequently Asked Questions

What is the IUPAC name of 2-[(1,3-dioxoisoindol-2-yl)amino]pentanedioic acid?
The IUPAC name of 2-[(1,3-dioxoisoindol-2-yl)amino]pentanedioic acid (CID 175505324) is 2-[(1,3-dioxoisoindol-2-yl)amino]pentanedioic acid.
What is the SMILES notation for 2-[(1,3-dioxoisoindol-2-yl)amino]pentanedioic acid?
The canonical SMILES for 2-[(1,3-dioxoisoindol-2-yl)amino]pentanedioic acid is O=C(O)CCC(NN1C(=O)c2ccccc2C1=O)C(=O)O.
What is the InChIKey of 2-[(1,3-dioxoisoindol-2-yl)amino]pentanedioic acid?
The InChIKey is QESRTQOQGXRUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O6/c16-10(17)6-5-9(13(20)21)14-15-11(18)7-3-1-2-4-8(7)12(15)19/h1-4,9,14H,5-6H2,(H,16,17)(H,20,21).
What are the key properties of 2-[(1,3-dioxoisoindol-2-yl)amino]pentanedioic acid?
2-[(1,3-dioxoisoindol-2-yl)amino]pentanedioic acid has a molecular weight of 292.25 g/mol, XLogP of 0.11, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,3-dioxoisoindol-2-yl)amino]pentanedioic acid is sourced from PubChem (CID 175505324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).