2-(2,5-dioxopyrrolidin-1-yl)-3-(methylamino)propanoic acid

C8H12N2O4 — CID 142287139

IUPAC2-(2,5-dioxopyrrolidin-1-yl)-3-(methylamino)propanoic acid
SMILESCNCC(C(=O)O)N1C(=O)CCC1=O
InChIInChI=1S/C8H12N2O4/c1-9-4-5(8(13)14)10-6(11)2-3-7(10)12/h5,9H,2-4H2,1H3,(H,13,14)
InChIKeyAXHHHLWFWVGLKG-UHFFFAOYSA-N
MW200.19 g/mol
LogP-1.19
Rot. Bonds4

About 2-(2,5-dioxopyrrolidin-1-yl)-3-(methylamino)propanoic acid

2-(2,5-dioxopyrrolidin-1-yl)-3-(methylamino)propanoic acid (PubChem CID 142287139) has the molecular formula C8H12N2O4 and a molecular weight of 200.19 g/mol. Its IUPAC name is 2-(2,5-dioxopyrrolidin-1-yl)-3-(methylamino)propanoic acid.

Molecular Properties

Compound Name2-(2,5-dioxopyrrolidin-1-yl)-3-(methylamino)propanoic acid
PubChem CID142287139
Molecular FormulaC8H12N2O4
Molecular Weight200.19 g/mol
Exact Mass200.08
IUPAC Name2-(2,5-dioxopyrrolidin-1-yl)-3-(methylamino)propanoic acid
SMILESCNCC(C(=O)O)N1C(=O)CCC1=O
InChIInChI=1S/C8H12N2O4/c1-9-4-5(8(13)14)10-6(11)2-3-7(10)12/h5,9H,2-4H2,1H3,(H,13,14)
InChIKeyAXHHHLWFWVGLKG-UHFFFAOYSA-N
XLogP-1.19
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
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

2-(2,5-dioxopyrrolidin-1-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 169324201
(2R)-4-amino-2-(2,5-dioxopyrrolidin-1-yl)-4-oxobutanoic acid
CID 96905556
3-(2,5-dioxopyrrolidin-1-yl)-4-methoxy-4-oxobutanoic acid
CID 67414424
2-(2,5-dioxopyrrolidin-1-yl)propanoic acid
CID 2770225
3-(2,5-dioxopyrrolidin-1-yl)-2-(methylamino)butanoic acid
CID 165486012
2-(2,5-dioxopyrrolidin-1-yl)propanedioic acid
CID 15236441
(2S)-2-(2,5-dioxopyrrolidin-1-yl)-3-[[2-[[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl-[2-[methyl(propanoyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]propanoic acid
CID 176908439
2-(2,7-dioxoazepan-1-yl)-4-methoxybutanoic acid
CID 55075904
2-(2,7-dioxoazepan-1-yl)pentanedioic acid
CID 60829501
2-(2,5-dioxopyrrolidin-1-yl)butaneselenoic Se-acid
CID 173433095
2-(2,5-dioxopyrrolidin-1-yl)-2-hydroxyacetic acid
CID 14112493
methyl 2,3-bis(2,5-dioxopyrrolidin-1-yl)propanoate
CID 155803355

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxopyrrolidin-1-yl)-3-(methylamino)propanoic acid?
The IUPAC name of 2-(2,5-dioxopyrrolidin-1-yl)-3-(methylamino)propanoic acid (CID 142287139) is 2-(2,5-dioxopyrrolidin-1-yl)-3-(methylamino)propanoic acid.
What is the SMILES notation for 2-(2,5-dioxopyrrolidin-1-yl)-3-(methylamino)propanoic acid?
The canonical SMILES for 2-(2,5-dioxopyrrolidin-1-yl)-3-(methylamino)propanoic acid is CNCC(C(=O)O)N1C(=O)CCC1=O.
What is the InChIKey of 2-(2,5-dioxopyrrolidin-1-yl)-3-(methylamino)propanoic acid?
The InChIKey is AXHHHLWFWVGLKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O4/c1-9-4-5(8(13)14)10-6(11)2-3-7(10)12/h5,9H,2-4H2,1H3,(H,13,14).
What are the key properties of 2-(2,5-dioxopyrrolidin-1-yl)-3-(methylamino)propanoic acid?
2-(2,5-dioxopyrrolidin-1-yl)-3-(methylamino)propanoic acid has a molecular weight of 200.19 g/mol, XLogP of -1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxopyrrolidin-1-yl)-3-(methylamino)propanoic acid is sourced from PubChem (CID 142287139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).