2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]propanoic acid

C8H12N2O4 — CID 43638674

IUPAC2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]propanoic acid
SMILESCC(NC1CC(=O)N(C)C1=O)C(=O)O
InChIInChI=1S/C8H12N2O4/c1-4(8(13)14)9-5-3-6(11)10(2)7(5)12/h4-5,9H,3H2,1-2H3,(H,13,14)
InChIKeyOWNYVVIBXURUEB-UHFFFAOYSA-N
MW200.19 g/mol
LogP-1.19
Rot. Bonds3

About 2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]propanoic acid

2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]propanoic acid (PubChem CID 43638674) has the molecular formula C8H12N2O4 and a molecular weight of 200.19 g/mol. Its IUPAC name is 2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]propanoic acid.

Molecular Properties

Compound Name2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]propanoic acid
PubChem CID43638674
Molecular FormulaC8H12N2O4
Molecular Weight200.19 g/mol
Exact Mass200.08
IUPAC Name2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]propanoic acid
SMILESCC(NC1CC(=O)N(C)C1=O)C(=O)O
InChIInChI=1S/C8H12N2O4/c1-4(8(13)14)9-5-3-6(11)10(2)7(5)12/h4-5,9H,3H2,1-2H3,(H,13,14)
InChIKeyOWNYVVIBXURUEB-UHFFFAOYSA-N
XLogP-1.19
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 5-1.19
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

(2S)-2-[(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]propanoic acid
CID 83194716
2-cyclopropyl-2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]acetic acid
CID 62695032
2-methyl-3-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]-3-oxopropanoic acid
CID 114898685
3-(4-hydroxybutan-2-ylamino)-1-methylpyrrolidine-2,5-dione
CID 107358045
3-(1-aminopropan-2-ylamino)-1-methylpyrrolidine-2,5-dione
CID 103390234
(3S)-1-methyl-3-[[(1S)-1-phenylethyl]amino]pyrrolidine-2,5-dione
CID 7377821
3-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-1-methylpyrrolidine-2,5-dione
CID 106160462
(4S)-5-fluoro-4-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]-5-oxopentanoic acid
CID 90168311
3-methyl-N-(1-methyl-2,5-dioxopyrrolidin-3-yl)butanamide
CID 58708342
N-(1-methyl-2,5-dioxopyrrolidin-3-yl)pyrrolidine-1-carboxamide
CID 116656505
1-methyl-3-[[(1R)-1-pyridin-4-ylethyl]amino]pyrrolidine-2,5-dione
CID 107358038
1-methyl-3-(1-pyridin-4-ylethylamino)pyrrolidine-2,5-dione
CID 43636029

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]propanoic acid?
The IUPAC name of 2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]propanoic acid (CID 43638674) is 2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]propanoic acid.
What is the SMILES notation for 2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]propanoic acid?
The canonical SMILES for 2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]propanoic acid is CC(NC1CC(=O)N(C)C1=O)C(=O)O.
What is the InChIKey of 2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]propanoic acid?
The InChIKey is OWNYVVIBXURUEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O4/c1-4(8(13)14)9-5-3-6(11)10(2)7(5)12/h4-5,9H,3H2,1-2H3,(H,13,14).
What are the key properties of 2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]propanoic acid?
2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]propanoic acid has a molecular weight of 200.19 g/mol, XLogP of -1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]propanoic acid is sourced from PubChem (CID 43638674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).