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

C12H21N3O3 — CID 104903657

IUPAC4-[(2R)-2-amino-4-methylpentanoyl]-3-ethylpiperazine-2,6-dione
SMILESCCC1C(=O)NC(=O)CN1C(=O)[C@H](N)CC(C)C
InChIInChI=1S/C12H21N3O3/c1-4-9-11(17)14-10(16)6-15(9)12(18)8(13)5-7(2)3/h7-9H,4-6,13H2,1-3H3,(H,14,16,17)/t8-,9?/m1/s1
InChIKeyJLFYCFLKTCDCRZ-VEDVMXKPSA-N
MW255.32 g/mol
LogP-0.38
Rot. Bonds4

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

4-[(2R)-2-amino-4-methylpentanoyl]-3-ethylpiperazine-2,6-dione (PubChem CID 104903657) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is 4-[(2R)-2-amino-4-methylpentanoyl]-3-ethylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-[(2R)-2-amino-4-methylpentanoyl]-3-ethylpiperazine-2,6-dione
PubChem CID104903657
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC Name4-[(2R)-2-amino-4-methylpentanoyl]-3-ethylpiperazine-2,6-dione
SMILESCCC1C(=O)NC(=O)CN1C(=O)[C@H](N)CC(C)C
InChIInChI=1S/C12H21N3O3/c1-4-9-11(17)14-10(16)6-15(9)12(18)8(13)5-7(2)3/h7-9H,4-6,13H2,1-3H3,(H,14,16,17)/t8-,9?/m1/s1
InChIKeyJLFYCFLKTCDCRZ-VEDVMXKPSA-N
XLogP-0.38
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
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'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-2-amino-4-methylpentanoyl]-3-ethylpiperazine-2,6-dione?
The IUPAC name of 4-[(2R)-2-amino-4-methylpentanoyl]-3-ethylpiperazine-2,6-dione (CID 104903657) is 4-[(2R)-2-amino-4-methylpentanoyl]-3-ethylpiperazine-2,6-dione.
What is the SMILES notation for 4-[(2R)-2-amino-4-methylpentanoyl]-3-ethylpiperazine-2,6-dione?
The canonical SMILES for 4-[(2R)-2-amino-4-methylpentanoyl]-3-ethylpiperazine-2,6-dione is CCC1C(=O)NC(=O)CN1C(=O)[C@H](N)CC(C)C.
What is the InChIKey of 4-[(2R)-2-amino-4-methylpentanoyl]-3-ethylpiperazine-2,6-dione?
The InChIKey is JLFYCFLKTCDCRZ-VEDVMXKPSA-N. The full InChI is InChI=1S/C12H21N3O3/c1-4-9-11(17)14-10(16)6-15(9)12(18)8(13)5-7(2)3/h7-9H,4-6,13H2,1-3H3,(H,14,16,17)/t8-,9?/m1/s1.
What are the key properties of 4-[(2R)-2-amino-4-methylpentanoyl]-3-ethylpiperazine-2,6-dione?
4-[(2R)-2-amino-4-methylpentanoyl]-3-ethylpiperazine-2,6-dione has a molecular weight of 255.32 g/mol, XLogP of -0.38, 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-4-methylpentanoyl]-3-ethylpiperazine-2,6-dione is sourced from PubChem (CID 104903657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).