4-(3-amino-2-methylpropanoyl)-3,3-dimethylpiperazine-2,6-dione

C10H17N3O3 — CID 66073778

IUPAC4-(3-amino-2-methylpropanoyl)-3,3-dimethylpiperazine-2,6-dione
SMILESCC(CN)C(=O)N1CC(=O)NC(=O)C1(C)C
InChIInChI=1S/C10H17N3O3/c1-6(4-11)8(15)13-5-7(14)12-9(16)10(13,2)3/h6H,4-5,11H2,1-3H3,(H,12,14,16)
InChIKeyRTAGSQLHTBFUKM-UHFFFAOYSA-N
MW227.26 g/mol
LogP-1.16
Rot. Bonds2

About 4-(3-amino-2-methylpropanoyl)-3,3-dimethylpiperazine-2,6-dione

4-(3-amino-2-methylpropanoyl)-3,3-dimethylpiperazine-2,6-dione (PubChem CID 66073778) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is 4-(3-amino-2-methylpropanoyl)-3,3-dimethylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-(3-amino-2-methylpropanoyl)-3,3-dimethylpiperazine-2,6-dione
PubChem CID66073778
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Name4-(3-amino-2-methylpropanoyl)-3,3-dimethylpiperazine-2,6-dione
SMILESCC(CN)C(=O)N1CC(=O)NC(=O)C1(C)C
InChIInChI=1S/C10H17N3O3/c1-6(4-11)8(15)13-5-7(14)12-9(16)10(13,2)3/h6H,4-5,11H2,1-3H3,(H,12,14,16)
InChIKeyRTAGSQLHTBFUKM-UHFFFAOYSA-N
XLogP-1.16
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 5-1.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-methylpropanoyl)-3,3-dimethylpiperazine-2,6-dione?
The IUPAC name of 4-(3-amino-2-methylpropanoyl)-3,3-dimethylpiperazine-2,6-dione (CID 66073778) is 4-(3-amino-2-methylpropanoyl)-3,3-dimethylpiperazine-2,6-dione.
What is the SMILES notation for 4-(3-amino-2-methylpropanoyl)-3,3-dimethylpiperazine-2,6-dione?
The canonical SMILES for 4-(3-amino-2-methylpropanoyl)-3,3-dimethylpiperazine-2,6-dione is CC(CN)C(=O)N1CC(=O)NC(=O)C1(C)C.
What is the InChIKey of 4-(3-amino-2-methylpropanoyl)-3,3-dimethylpiperazine-2,6-dione?
The InChIKey is RTAGSQLHTBFUKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-6(4-11)8(15)13-5-7(14)12-9(16)10(13,2)3/h6H,4-5,11H2,1-3H3,(H,12,14,16).
What are the key properties of 4-(3-amino-2-methylpropanoyl)-3,3-dimethylpiperazine-2,6-dione?
4-(3-amino-2-methylpropanoyl)-3,3-dimethylpiperazine-2,6-dione has a molecular weight of 227.26 g/mol, XLogP of -1.16, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-2-methylpropanoyl)-3,3-dimethylpiperazine-2,6-dione is sourced from PubChem (CID 66073778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).