4-(2-amino-4-methylpentanoyl)-1,4-diazepan-2-one

C11H21N3O2 — CID 65366224

IUPAC4-(2-amino-4-methylpentanoyl)-1,4-diazepan-2-one
SMILESCC(C)CC(N)C(=O)N1CCCNC(=O)C1
InChIInChI=1S/C11H21N3O2/c1-8(2)6-9(12)11(16)14-5-3-4-13-10(15)7-14/h8-9H,3-7,12H2,1-2H3,(H,13,15)
InChIKeyOLCGVUNWSFXILA-UHFFFAOYSA-N
MW227.31 g/mol
LogP-0.29
Rot. Bonds3

About 4-(2-amino-4-methylpentanoyl)-1,4-diazepan-2-one

4-(2-amino-4-methylpentanoyl)-1,4-diazepan-2-one (PubChem CID 65366224) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 4-(2-amino-4-methylpentanoyl)-1,4-diazepan-2-one.

Molecular Properties

Compound Name4-(2-amino-4-methylpentanoyl)-1,4-diazepan-2-one
PubChem CID65366224
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name4-(2-amino-4-methylpentanoyl)-1,4-diazepan-2-one
SMILESCC(C)CC(N)C(=O)N1CCCNC(=O)C1
InChIInChI=1S/C11H21N3O2/c1-8(2)6-9(12)11(16)14-5-3-4-13-10(15)7-14/h8-9H,3-7,12H2,1-2H3,(H,13,15)
InChIKeyOLCGVUNWSFXILA-UHFFFAOYSA-N
XLogP-0.29
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-4-methylpentanoyl)-1,4-diazepan-2-one?
The IUPAC name of 4-(2-amino-4-methylpentanoyl)-1,4-diazepan-2-one (CID 65366224) is 4-(2-amino-4-methylpentanoyl)-1,4-diazepan-2-one.
What is the SMILES notation for 4-(2-amino-4-methylpentanoyl)-1,4-diazepan-2-one?
The canonical SMILES for 4-(2-amino-4-methylpentanoyl)-1,4-diazepan-2-one is CC(C)CC(N)C(=O)N1CCCNC(=O)C1.
What is the InChIKey of 4-(2-amino-4-methylpentanoyl)-1,4-diazepan-2-one?
The InChIKey is OLCGVUNWSFXILA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-8(2)6-9(12)11(16)14-5-3-4-13-10(15)7-14/h8-9H,3-7,12H2,1-2H3,(H,13,15).
What are the key properties of 4-(2-amino-4-methylpentanoyl)-1,4-diazepan-2-one?
4-(2-amino-4-methylpentanoyl)-1,4-diazepan-2-one has a molecular weight of 227.31 g/mol, XLogP of -0.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-4-methylpentanoyl)-1,4-diazepan-2-one is sourced from PubChem (CID 65366224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).