2-[2-(2,5-dioxopyrrol-1-yl)ethyl-methylamino]acetic acid

C9H12N2O4 — CID 134451540

IUPAC2-[2-(2,5-dioxopyrrol-1-yl)ethyl-methylamino]acetic acid
SMILESCN(CCN1C(=O)C=CC1=O)CC(=O)O
InChIInChI=1S/C9H12N2O4/c1-10(6-9(14)15)4-5-11-7(12)2-3-8(11)13/h2-3H,4-6H2,1H3,(H,14,15)
InChIKeyYDCSFLLSZIPDAL-UHFFFAOYSA-N
MW212.21 g/mol
LogP-1.07
Rot. Bonds5

About 2-[2-(2,5-dioxopyrrol-1-yl)ethyl-methylamino]acetic acid

2-[2-(2,5-dioxopyrrol-1-yl)ethyl-methylamino]acetic acid (PubChem CID 134451540) has the molecular formula C9H12N2O4 and a molecular weight of 212.21 g/mol. Its IUPAC name is 2-[2-(2,5-dioxopyrrol-1-yl)ethyl-methylamino]acetic acid.

Molecular Properties

Compound Name2-[2-(2,5-dioxopyrrol-1-yl)ethyl-methylamino]acetic acid
PubChem CID134451540
Molecular FormulaC9H12N2O4
Molecular Weight212.21 g/mol
Exact Mass212.08
IUPAC Name2-[2-(2,5-dioxopyrrol-1-yl)ethyl-methylamino]acetic acid
SMILESCN(CCN1C(=O)C=CC1=O)CC(=O)O
InChIInChI=1S/C9H12N2O4/c1-10(6-9(14)15)4-5-11-7(12)2-3-8(11)13/h2-3H,4-6H2,1H3,(H,14,15)
InChIKeyYDCSFLLSZIPDAL-UHFFFAOYSA-N
XLogP-1.07
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 5-1.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)acetic acid
CID 319935
Methyl croton ylglycin
CID 24704117
2-[acetyl-[(E)-2-fluorobut-2-enoyl]amino]acetic acid
CID 143532679
2-(2,5-Dioxopyrrol-1-yl)acetate
CID 6990704
2-[Amino-[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]acetic acid
CID 10036667
2,2'-((2-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)ethyl)azanediyl)diacetic acid
CID 12968596
2-[2-[Bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;1-ethylpyrrole-2,5-dione
CID 19812782
2-[Amino-[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]acetic acid;hydrochloride
CID 19922511
acetic acid;1-acetyl-2H-pyrrol-5-one
CID 20077771
Mal-amido-(CH2COOH)2
CID 20740611
2-[[2-(2,5-Dioxopyrrol-1-yl)acetyl]amino]acetic acid
CID 43635891
2-[2,5-Dioxo-1-(2-oxoethyl)pyrrol-1-ium-1-yl]acetic acid
CID 53769198

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,5-dioxopyrrol-1-yl)ethyl-methylamino]acetic acid?
The IUPAC name of 2-[2-(2,5-dioxopyrrol-1-yl)ethyl-methylamino]acetic acid (CID 134451540) is 2-[2-(2,5-dioxopyrrol-1-yl)ethyl-methylamino]acetic acid.
What is the SMILES notation for 2-[2-(2,5-dioxopyrrol-1-yl)ethyl-methylamino]acetic acid?
The canonical SMILES for 2-[2-(2,5-dioxopyrrol-1-yl)ethyl-methylamino]acetic acid is CN(CCN1C(=O)C=CC1=O)CC(=O)O.
What is the InChIKey of 2-[2-(2,5-dioxopyrrol-1-yl)ethyl-methylamino]acetic acid?
The InChIKey is YDCSFLLSZIPDAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4/c1-10(6-9(14)15)4-5-11-7(12)2-3-8(11)13/h2-3H,4-6H2,1H3,(H,14,15).
What are the key properties of 2-[2-(2,5-dioxopyrrol-1-yl)ethyl-methylamino]acetic acid?
2-[2-(2,5-dioxopyrrol-1-yl)ethyl-methylamino]acetic acid has a molecular weight of 212.21 g/mol, XLogP of -1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,5-dioxopyrrol-1-yl)ethyl-methylamino]acetic acid is sourced from PubChem (CID 134451540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).