4-[(2R)-2-amino-3-phenylpropanoyl]-3-ethylpiperazine-2,6-dione

C15H19N3O3 — CID 79026795

IUPAC4-[(2R)-2-amino-3-phenylpropanoyl]-3-ethylpiperazine-2,6-dione
SMILESCCC1C(=O)NC(=O)CN1C(=O)[C@H](N)Cc1ccccc1
InChIInChI=1S/C15H19N3O3/c1-2-12-14(20)17-13(19)9-18(12)15(21)11(16)8-10-6-4-3-5-7-10/h3-7,11-12H,2,8-9,16H2,1H3,(H,17,19,20)/t11-,12?/m1/s1
InChIKeyMJIQMUIGAPNQFC-JHJMLUEUSA-N
MW289.33 g/mol
LogP-0.18
Rot. Bonds4

About 4-[(2R)-2-amino-3-phenylpropanoyl]-3-ethylpiperazine-2,6-dione

4-[(2R)-2-amino-3-phenylpropanoyl]-3-ethylpiperazine-2,6-dione (PubChem CID 79026795) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 4-[(2R)-2-amino-3-phenylpropanoyl]-3-ethylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-[(2R)-2-amino-3-phenylpropanoyl]-3-ethylpiperazine-2,6-dione
PubChem CID79026795
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name4-[(2R)-2-amino-3-phenylpropanoyl]-3-ethylpiperazine-2,6-dione
SMILESCCC1C(=O)NC(=O)CN1C(=O)[C@H](N)Cc1ccccc1
InChIInChI=1S/C15H19N3O3/c1-2-12-14(20)17-13(19)9-18(12)15(21)11(16)8-10-6-4-3-5-7-10/h3-7,11-12H,2,8-9,16H2,1H3,(H,17,19,20)/t11-,12?/m1/s1
InChIKeyMJIQMUIGAPNQFC-JHJMLUEUSA-N
XLogP-0.18
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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

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Related Compounds

4-(2-amino-2-phenylacetyl)-3-ethylpiperazine-2,6-dione
CID 66069529
4-[(2S)-2-amino-3-methylbutanoyl]-3-ethylpiperazine-2,6-dione
CID 79026797
4-(2-amino-4-methylsulfonylbutanoyl)-3-ethylpiperazine-2,6-dione
CID 66068962
4-(2-benzylsulfanylacetyl)-3-ethylpiperazine-2,6-dione
CID 66068319
4-[2-amino-3-(4-hydroxyphenyl)propanoyl]-3-methylpiperazine-2,6-dione
CID 77111233
4-[(2S)-2-amino-3,3-dimethylbutanoyl]-3-ethylpiperazine-2,6-dione
CID 66069151
4-(2-amino-2-phenylpropanoyl)-3-ethylpiperazine-2,6-dione
CID 66069345
4-[2-(3-aminophenyl)acetyl]-3-ethylpiperazine-2,6-dione
CID 66067315
bis(4-[(2S)-2-amino-3-phenylpropanoyl]-3-(2-methylpropyl)-1,4-diazepan-2-one);hydrate
CID 70477417
3-(2-ethyl-3,5-dioxopiperazin-1-yl)-2-methyl-3-oxopropanenitrile
CID 66067037
4-(2-aminoacetyl)-3-ethylpiperazine-2,6-dione
CID 66069530
2-ethyl-3,5-dioxo-N-phenylpiperazine-1-carbothioamide
CID 116509235

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-2-amino-3-phenylpropanoyl]-3-ethylpiperazine-2,6-dione?
The IUPAC name of 4-[(2R)-2-amino-3-phenylpropanoyl]-3-ethylpiperazine-2,6-dione (CID 79026795) is 4-[(2R)-2-amino-3-phenylpropanoyl]-3-ethylpiperazine-2,6-dione.
What is the SMILES notation for 4-[(2R)-2-amino-3-phenylpropanoyl]-3-ethylpiperazine-2,6-dione?
The canonical SMILES for 4-[(2R)-2-amino-3-phenylpropanoyl]-3-ethylpiperazine-2,6-dione is CCC1C(=O)NC(=O)CN1C(=O)[C@H](N)Cc1ccccc1.
What is the InChIKey of 4-[(2R)-2-amino-3-phenylpropanoyl]-3-ethylpiperazine-2,6-dione?
The InChIKey is MJIQMUIGAPNQFC-JHJMLUEUSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-2-12-14(20)17-13(19)9-18(12)15(21)11(16)8-10-6-4-3-5-7-10/h3-7,11-12H,2,8-9,16H2,1H3,(H,17,19,20)/t11-,12?/m1/s1.
What are the key properties of 4-[(2R)-2-amino-3-phenylpropanoyl]-3-ethylpiperazine-2,6-dione?
4-[(2R)-2-amino-3-phenylpropanoyl]-3-ethylpiperazine-2,6-dione has a molecular weight of 289.33 g/mol, XLogP of -0.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-2-amino-3-phenylpropanoyl]-3-ethylpiperazine-2,6-dione is sourced from PubChem (CID 79026795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).