4-(5-amino-4-methylpentanoyl)-1,4-diazepan-2-one

C11H21N3O2 — CID 82688047

IUPAC4-(5-amino-4-methylpentanoyl)-1,4-diazepan-2-one
SMILESCC(CN)CCC(=O)N1CCCNC(=O)C1
InChIInChI=1S/C11H21N3O2/c1-9(7-12)3-4-11(16)14-6-2-5-13-10(15)8-14/h9H,2-8,12H2,1H3,(H,13,15)
InChIKeyFMJAHVFOJSYKGC-UHFFFAOYSA-N
MW227.31 g/mol
LogP-0.29
Rot. Bonds4

About 4-(5-amino-4-methylpentanoyl)-1,4-diazepan-2-one

4-(5-amino-4-methylpentanoyl)-1,4-diazepan-2-one (PubChem CID 82688047) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 4-(5-amino-4-methylpentanoyl)-1,4-diazepan-2-one.

Molecular Properties

Compound Name4-(5-amino-4-methylpentanoyl)-1,4-diazepan-2-one
PubChem CID82688047
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name4-(5-amino-4-methylpentanoyl)-1,4-diazepan-2-one
SMILESCC(CN)CCC(=O)N1CCCNC(=O)C1
InChIInChI=1S/C11H21N3O2/c1-9(7-12)3-4-11(16)14-6-2-5-13-10(15)8-14/h9H,2-8,12H2,1H3,(H,13,15)
InChIKeyFMJAHVFOJSYKGC-UHFFFAOYSA-N
XLogP-0.29
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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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Related Compounds

4-(4-amino-3-methylbutanoyl)-1,4-diazepan-2-one
CID 81080784
4-(3-aminobutanoyl)-1,4-diazepan-2-one
CID 65366461
4-pentanoyl-1,4-diazepan-2-one
CID 62898703
1-[3-oxo-3-(3-oxo-1,4-diazepan-1-yl)propyl]pyrrolidine-2,5-dione
CID 62897036
4-(2-amino-4-methylpentanoyl)-1,4-diazepan-2-one
CID 65366224
ethyl 3-oxo-1,4-diazepane-1-carboxylate
CID 62897975
5-amino-1-[(3S)-3-hydroxypiperidin-1-yl]-4-methylpentan-1-one
CID 107222947
5-amino-4-methyl-1-(4-methylazepan-1-yl)pentan-1-one
CID 82689210
N'-hydroxy-3-oxo-3-(3-oxo-1,4-diazepan-1-yl)propanimidamide
CID 77066466
4-(4-cyclohexylbutanoyl)-1,4-diazepan-2-one
CID 62897580
5-amino-4-methyl-1-[4-(3-methylbutanoyl)piperazin-1-yl]pentan-1-one
CID 82011875
4-[2-(cyclopentylamino)acetyl]-1,4-diazepan-2-one
CID 65366267

Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-4-methylpentanoyl)-1,4-diazepan-2-one?
The IUPAC name of 4-(5-amino-4-methylpentanoyl)-1,4-diazepan-2-one (CID 82688047) is 4-(5-amino-4-methylpentanoyl)-1,4-diazepan-2-one.
What is the SMILES notation for 4-(5-amino-4-methylpentanoyl)-1,4-diazepan-2-one?
The canonical SMILES for 4-(5-amino-4-methylpentanoyl)-1,4-diazepan-2-one is CC(CN)CCC(=O)N1CCCNC(=O)C1.
What is the InChIKey of 4-(5-amino-4-methylpentanoyl)-1,4-diazepan-2-one?
The InChIKey is FMJAHVFOJSYKGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-9(7-12)3-4-11(16)14-6-2-5-13-10(15)8-14/h9H,2-8,12H2,1H3,(H,13,15).
What are the key properties of 4-(5-amino-4-methylpentanoyl)-1,4-diazepan-2-one?
4-(5-amino-4-methylpentanoyl)-1,4-diazepan-2-one has a molecular weight of 227.31 g/mol, XLogP of -0.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-4-methylpentanoyl)-1,4-diazepan-2-one is sourced from PubChem (CID 82688047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).