1-(4-amino-3-methylbutanoyl)-1,4-diazepan-5-one

C10H19N3O2 — CID 81079124

IUPAC1-(4-amino-3-methylbutanoyl)-1,4-diazepan-5-one
SMILESCC(CN)CC(=O)N1CCNC(=O)CC1
InChIInChI=1S/C10H19N3O2/c1-8(7-11)6-10(15)13-4-2-9(14)12-3-5-13/h8H,2-7,11H2,1H3,(H,12,14)
InChIKeyOSXSIAWQWXHLGX-UHFFFAOYSA-N
MW213.28 g/mol
LogP-0.68
Rot. Bonds3

About 1-(4-amino-3-methylbutanoyl)-1,4-diazepan-5-one

1-(4-amino-3-methylbutanoyl)-1,4-diazepan-5-one (PubChem CID 81079124) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is 1-(4-amino-3-methylbutanoyl)-1,4-diazepan-5-one.

Molecular Properties

Compound Name1-(4-amino-3-methylbutanoyl)-1,4-diazepan-5-one
PubChem CID81079124
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name1-(4-amino-3-methylbutanoyl)-1,4-diazepan-5-one
SMILESCC(CN)CC(=O)N1CCNC(=O)CC1
InChIInChI=1S/C10H19N3O2/c1-8(7-11)6-10(15)13-4-2-9(14)12-3-5-13/h8H,2-7,11H2,1H3,(H,12,14)
InChIKeyOSXSIAWQWXHLGX-UHFFFAOYSA-N
XLogP-0.68
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(4-amino-3-methylbutanoyl)-1,4-diazepan-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-3-methyl-1-piperazin-1-ylbutan-1-one
CID 81072124
4-(4-amino-3-methylbutanoyl)-1,4-diazepan-2-one
CID 81080784
1-(5-aminohexanoyl)-1,4-diazepan-5-one
CID 82851855
4-amino-3-methyl-1-pyrrolidin-1-ylbutan-1-one
CID 81070855
1-[(2S)-2-aminopropanoyl]-1,4-diazepan-5-one
CID 78919914
1-[2-(aminomethyl)pentanoyl]-1,4-diazepan-5-one
CID 63003245
5-oxo-N-propan-2-yl-1,4-diazepane-1-carboxamide
CID 60968905
3-amino-4-oxo-4-(5-oxo-1,4-diazepan-1-yl)butanoic acid
CID 64894985
4-amino-1-(4-ethylpiperazin-1-yl)-3-methylbutan-1-one
CID 81071277
4-(4-amino-3-methylbutanoyl)-3-ethylpiperazin-2-one
CID 81080644
1-[3-(2-chlorophenyl)-3-phenylpropanoyl]-1,4-diazepan-5-one
CID 45228203
1-(2-anilinoacetyl)-1,4-diazepan-5-one
CID 63004979

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3-methylbutanoyl)-1,4-diazepan-5-one?
The IUPAC name of 1-(4-amino-3-methylbutanoyl)-1,4-diazepan-5-one (CID 81079124) is 1-(4-amino-3-methylbutanoyl)-1,4-diazepan-5-one.
What is the SMILES notation for 1-(4-amino-3-methylbutanoyl)-1,4-diazepan-5-one?
The canonical SMILES for 1-(4-amino-3-methylbutanoyl)-1,4-diazepan-5-one is CC(CN)CC(=O)N1CCNC(=O)CC1.
What is the InChIKey of 1-(4-amino-3-methylbutanoyl)-1,4-diazepan-5-one?
The InChIKey is OSXSIAWQWXHLGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-8(7-11)6-10(15)13-4-2-9(14)12-3-5-13/h8H,2-7,11H2,1H3,(H,12,14).
What are the key properties of 1-(4-amino-3-methylbutanoyl)-1,4-diazepan-5-one?
1-(4-amino-3-methylbutanoyl)-1,4-diazepan-5-one has a molecular weight of 213.28 g/mol, XLogP of -0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3-methylbutanoyl)-1,4-diazepan-5-one is sourced from PubChem (CID 81079124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).