4-[(2S)-2-amino-3,3-dimethylbutanoyl]-3-ethylpiperazine-2,6-dione

C12H21N3O3 — CID 66069151

IUPAC4-[(2S)-2-amino-3,3-dimethylbutanoyl]-3-ethylpiperazine-2,6-dione
SMILESCCC1C(=O)NC(=O)CN1C(=O)[C@@H](N)C(C)(C)C
InChIInChI=1S/C12H21N3O3/c1-5-7-10(17)14-8(16)6-15(7)11(18)9(13)12(2,3)4/h7,9H,5-6,13H2,1-4H3,(H,14,16,17)/t7?,9-/m1/s1
InChIKeyRVTKJSPWFPCQEG-NHSZFOGYSA-N
MW255.32 g/mol
LogP-0.38
Rot. Bonds2

About 4-[(2S)-2-amino-3,3-dimethylbutanoyl]-3-ethylpiperazine-2,6-dione

4-[(2S)-2-amino-3,3-dimethylbutanoyl]-3-ethylpiperazine-2,6-dione (PubChem CID 66069151) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is 4-[(2S)-2-amino-3,3-dimethylbutanoyl]-3-ethylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-[(2S)-2-amino-3,3-dimethylbutanoyl]-3-ethylpiperazine-2,6-dione
PubChem CID66069151
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC Name4-[(2S)-2-amino-3,3-dimethylbutanoyl]-3-ethylpiperazine-2,6-dione
SMILESCCC1C(=O)NC(=O)CN1C(=O)[C@@H](N)C(C)(C)C
InChIInChI=1S/C12H21N3O3/c1-5-7-10(17)14-8(16)6-15(7)11(18)9(13)12(2,3)4/h7,9H,5-6,13H2,1-4H3,(H,14,16,17)/t7?,9-/m1/s1
InChIKeyRVTKJSPWFPCQEG-NHSZFOGYSA-N
XLogP-0.38
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[(2S)-2-amino-3,3-dimethylbutanoyl]-3-ethylpiperazine-2,6-dione with MolForge

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Related Compounds

4-[(2S)-2-amino-3-methylbutanoyl]-3-ethylpiperazine-2,6-dione
CID 79026797
4-(2,3-dimethylbutanoyl)-3-ethylpiperazine-2,6-dione
CID 66069304
4-[(2R)-2-amino-4-methylpentanoyl]-3-ethylpiperazine-2,6-dione
CID 104903657
4-(2-amino-2-phenylacetyl)-3-ethylpiperazine-2,6-dione
CID 66069529
4-(2-amino-4-methylsulfonylbutanoyl)-3-ethylpiperazine-2,6-dione
CID 66068962
2-(2-ethyl-3,5-dioxopiperazine-1-carbonyl)-N'-hydroxy-3-methylbutanimidamide
CID 77111976
3-(2-ethyl-3,5-dioxopiperazin-1-yl)-2-methyl-3-oxopropanenitrile
CID 66067037
4-(2-aminoacetyl)-3-ethylpiperazine-2,6-dione
CID 66069530
4-[(2R)-2-amino-3-phenylpropanoyl]-3-ethylpiperazine-2,6-dione
CID 79026795
2-ethyl-3,5-dioxo-N-propylpiperazine-1-carboxamide
CID 66068741
4-(2-chloroacetyl)-3-ethylpiperazine-2,6-dione
CID 66068113
3-(2-ethyl-3,5-dioxopiperazin-1-yl)-3-oxopropanethioamide
CID 66069349

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-2-amino-3,3-dimethylbutanoyl]-3-ethylpiperazine-2,6-dione?
The IUPAC name of 4-[(2S)-2-amino-3,3-dimethylbutanoyl]-3-ethylpiperazine-2,6-dione (CID 66069151) is 4-[(2S)-2-amino-3,3-dimethylbutanoyl]-3-ethylpiperazine-2,6-dione.
What is the SMILES notation for 4-[(2S)-2-amino-3,3-dimethylbutanoyl]-3-ethylpiperazine-2,6-dione?
The canonical SMILES for 4-[(2S)-2-amino-3,3-dimethylbutanoyl]-3-ethylpiperazine-2,6-dione is CCC1C(=O)NC(=O)CN1C(=O)[C@@H](N)C(C)(C)C.
What is the InChIKey of 4-[(2S)-2-amino-3,3-dimethylbutanoyl]-3-ethylpiperazine-2,6-dione?
The InChIKey is RVTKJSPWFPCQEG-NHSZFOGYSA-N. The full InChI is InChI=1S/C12H21N3O3/c1-5-7-10(17)14-8(16)6-15(7)11(18)9(13)12(2,3)4/h7,9H,5-6,13H2,1-4H3,(H,14,16,17)/t7?,9-/m1/s1.
What are the key properties of 4-[(2S)-2-amino-3,3-dimethylbutanoyl]-3-ethylpiperazine-2,6-dione?
4-[(2S)-2-amino-3,3-dimethylbutanoyl]-3-ethylpiperazine-2,6-dione has a molecular weight of 255.32 g/mol, XLogP of -0.38, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-2-amino-3,3-dimethylbutanoyl]-3-ethylpiperazine-2,6-dione is sourced from PubChem (CID 66069151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).