2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]acetic acid

C11H10N2O4 — CID 28897269

IUPAC2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]acetic acid
SMILESCN1C(=O)c2ccc(NCC(=O)O)cc2C1=O
InChIInChI=1S/C11H10N2O4/c1-13-10(16)7-3-2-6(12-5-9(14)15)4-8(7)11(13)17/h2-4,12H,5H2,1H3,(H,14,15)
InChIKeyJXAFOYHETGZXPJ-UHFFFAOYSA-N
MW234.21 g/mol
LogP0.41
Rot. Bonds3

About 2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]acetic acid

2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]acetic acid (PubChem CID 28897269) has the molecular formula C11H10N2O4 and a molecular weight of 234.21 g/mol. Its IUPAC name is 2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]acetic acid
PubChem CID28897269
Molecular FormulaC11H10N2O4
Molecular Weight234.21 g/mol
Exact Mass234.06
IUPAC Name2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]acetic acid
SMILESCN1C(=O)c2ccc(NCC(=O)O)cc2C1=O
InChIInChI=1S/C11H10N2O4/c1-13-10(16)7-3-2-6(12-5-9(14)15)4-8(7)11(13)17/h2-4,12H,5H2,1H3,(H,14,15)
InChIKeyJXAFOYHETGZXPJ-UHFFFAOYSA-N
XLogP0.41
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(2,3-dichloroprop-2-enylamino)-2-methylisoindole-1,3-dione
CID 79168487
2-methyl-5-(2-methylidenebutylamino)isoindole-1,3-dione
CID 66045442
3-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]-3-oxopropanoic acid
CID 62230900
N-[2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]ethyl]acetamide
CID 103604422
N,N-dimethyl-3-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]propanamide
CID 60961200
5-(butylamino)-2-methylisoindole-1,3-dione
CID 14911570
2-methyl-5-[(4-methylphenyl)methylamino]isoindole-1,3-dione
CID 10755204
N-(1-cyanocycloheptyl)-2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]acetamide
CID 33005767
5-(heptylamino)-2-methylisoindole-1,3-dione
CID 14911571
1-ethyl-3-(2-methyl-1,3-dioxoisoindol-5-yl)urea
CID 24664343
2-[3-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]azetidin-3-yl]acetic acid
CID 107142145
5-(3-methoxypropylamino)-2-methylisoindole-1,3-dione
CID 54936023

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]acetic acid?
The IUPAC name of 2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]acetic acid (CID 28897269) is 2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]acetic acid.
What is the SMILES notation for 2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]acetic acid?
The canonical SMILES for 2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]acetic acid is CN1C(=O)c2ccc(NCC(=O)O)cc2C1=O.
What is the InChIKey of 2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]acetic acid?
The InChIKey is JXAFOYHETGZXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O4/c1-13-10(16)7-3-2-6(12-5-9(14)15)4-8(7)11(13)17/h2-4,12H,5H2,1H3,(H,14,15).
What are the key properties of 2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]acetic acid?
2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]acetic acid has a molecular weight of 234.21 g/mol, XLogP of 0.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]acetic acid is sourced from PubChem (CID 28897269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).