4-[(2S)-2-amino-4-methylpentanoyl]-3,3-dimethylpiperazin-2-one

C12H23N3O2 — CID 63607228

IUPAC4-[(2S)-2-amino-4-methylpentanoyl]-3,3-dimethylpiperazin-2-one
SMILESCC(C)C[C@H](N)C(=O)N1CCNC(=O)C1(C)C
InChIInChI=1S/C12H23N3O2/c1-8(2)7-9(13)10(16)15-6-5-14-11(17)12(15,3)4/h8-9H,5-7,13H2,1-4H3,(H,14,17)/t9-/m0/s1
InChIKeyLCHPGINTEHLDOO-VIFPVBQESA-N
MW241.33 g/mol
LogP0.10
Rot. Bonds3

About 4-[(2S)-2-amino-4-methylpentanoyl]-3,3-dimethylpiperazin-2-one

4-[(2S)-2-amino-4-methylpentanoyl]-3,3-dimethylpiperazin-2-one (PubChem CID 63607228) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 4-[(2S)-2-amino-4-methylpentanoyl]-3,3-dimethylpiperazin-2-one.

Molecular Properties

Compound Name4-[(2S)-2-amino-4-methylpentanoyl]-3,3-dimethylpiperazin-2-one
PubChem CID63607228
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name4-[(2S)-2-amino-4-methylpentanoyl]-3,3-dimethylpiperazin-2-one
SMILESCC(C)C[C@H](N)C(=O)N1CCNC(=O)C1(C)C
InChIInChI=1S/C12H23N3O2/c1-8(2)7-9(13)10(16)15-6-5-14-11(17)12(15,3)4/h8-9H,5-7,13H2,1-4H3,(H,14,17)/t9-/m0/s1
InChIKeyLCHPGINTEHLDOO-VIFPVBQESA-N
XLogP0.10
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-2-amino-4-methylpentanoyl]-3,3-dimethylpiperazin-2-one?
The IUPAC name of 4-[(2S)-2-amino-4-methylpentanoyl]-3,3-dimethylpiperazin-2-one (CID 63607228) is 4-[(2S)-2-amino-4-methylpentanoyl]-3,3-dimethylpiperazin-2-one.
What is the SMILES notation for 4-[(2S)-2-amino-4-methylpentanoyl]-3,3-dimethylpiperazin-2-one?
The canonical SMILES for 4-[(2S)-2-amino-4-methylpentanoyl]-3,3-dimethylpiperazin-2-one is CC(C)C[C@H](N)C(=O)N1CCNC(=O)C1(C)C.
What is the InChIKey of 4-[(2S)-2-amino-4-methylpentanoyl]-3,3-dimethylpiperazin-2-one?
The InChIKey is LCHPGINTEHLDOO-VIFPVBQESA-N. The full InChI is InChI=1S/C12H23N3O2/c1-8(2)7-9(13)10(16)15-6-5-14-11(17)12(15,3)4/h8-9H,5-7,13H2,1-4H3,(H,14,17)/t9-/m0/s1.
What are the key properties of 4-[(2S)-2-amino-4-methylpentanoyl]-3,3-dimethylpiperazin-2-one?
4-[(2S)-2-amino-4-methylpentanoyl]-3,3-dimethylpiperazin-2-one has a molecular weight of 241.33 g/mol, XLogP of 0.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-2-amino-4-methylpentanoyl]-3,3-dimethylpiperazin-2-one is sourced from PubChem (CID 63607228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).