4-(3-amino-2-methoxypropanoyl)piperazine-2,6-dione

C8H13N3O4 — CID 106113080

IUPAC4-(3-amino-2-methoxypropanoyl)piperazine-2,6-dione
SMILESCOC(CN)C(=O)N1CC(=O)NC(=O)C1
InChIInChI=1S/C8H13N3O4/c1-15-5(2-9)8(14)11-3-6(12)10-7(13)4-11/h5H,2-4,9H2,1H3,(H,10,12,13)
InChIKeyCWPLXORXNGFMKN-UHFFFAOYSA-N
MW215.21 g/mol
LogP-2.55
Rot. Bonds3

About 4-(3-amino-2-methoxypropanoyl)piperazine-2,6-dione

4-(3-amino-2-methoxypropanoyl)piperazine-2,6-dione (PubChem CID 106113080) has the molecular formula C8H13N3O4 and a molecular weight of 215.21 g/mol. Its IUPAC name is 4-(3-amino-2-methoxypropanoyl)piperazine-2,6-dione.

Molecular Properties

Compound Name4-(3-amino-2-methoxypropanoyl)piperazine-2,6-dione
PubChem CID106113080
Molecular FormulaC8H13N3O4
Molecular Weight215.21 g/mol
Exact Mass215.09
IUPAC Name4-(3-amino-2-methoxypropanoyl)piperazine-2,6-dione
SMILESCOC(CN)C(=O)N1CC(=O)NC(=O)C1
InChIInChI=1S/C8H13N3O4/c1-15-5(2-9)8(14)11-3-6(12)10-7(13)4-11/h5H,2-4,9H2,1H3,(H,10,12,13)
InChIKeyCWPLXORXNGFMKN-UHFFFAOYSA-N
XLogP-2.55
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 5-2.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-2-methoxypropanoyl)piperazine-2,6-dione?
The IUPAC name of 4-(3-amino-2-methoxypropanoyl)piperazine-2,6-dione (CID 106113080) is 4-(3-amino-2-methoxypropanoyl)piperazine-2,6-dione.
What is the SMILES notation for 4-(3-amino-2-methoxypropanoyl)piperazine-2,6-dione?
The canonical SMILES for 4-(3-amino-2-methoxypropanoyl)piperazine-2,6-dione is COC(CN)C(=O)N1CC(=O)NC(=O)C1.
What is the InChIKey of 4-(3-amino-2-methoxypropanoyl)piperazine-2,6-dione?
The InChIKey is CWPLXORXNGFMKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O4/c1-15-5(2-9)8(14)11-3-6(12)10-7(13)4-11/h5H,2-4,9H2,1H3,(H,10,12,13).
What are the key properties of 4-(3-amino-2-methoxypropanoyl)piperazine-2,6-dione?
4-(3-amino-2-methoxypropanoyl)piperazine-2,6-dione has a molecular weight of 215.21 g/mol, XLogP of -2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-2-methoxypropanoyl)piperazine-2,6-dione is sourced from PubChem (CID 106113080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).