4-(4-amino-3-methylbutanoyl)-1,4-diazepan-2-one

C10H19N3O2 — CID 81080784

IUPAC4-(4-amino-3-methylbutanoyl)-1,4-diazepan-2-one
SMILESCC(CN)CC(=O)N1CCCNC(=O)C1
InChIInChI=1S/C10H19N3O2/c1-8(6-11)5-10(15)13-4-2-3-12-9(14)7-13/h8H,2-7,11H2,1H3,(H,12,14)
InChIKeyVXUQWSCEXWAJSE-UHFFFAOYSA-N
MW213.28 g/mol
LogP-0.68
Rot. Bonds3

About 4-(4-amino-3-methylbutanoyl)-1,4-diazepan-2-one

4-(4-amino-3-methylbutanoyl)-1,4-diazepan-2-one (PubChem CID 81080784) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is 4-(4-amino-3-methylbutanoyl)-1,4-diazepan-2-one.

Molecular Properties

Compound Name4-(4-amino-3-methylbutanoyl)-1,4-diazepan-2-one
PubChem CID81080784
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name4-(4-amino-3-methylbutanoyl)-1,4-diazepan-2-one
SMILESCC(CN)CC(=O)N1CCCNC(=O)C1
InChIInChI=1S/C10H19N3O2/c1-8(6-11)5-10(15)13-4-2-3-12-9(14)7-13/h8H,2-7,11H2,1H3,(H,12,14)
InChIKeyVXUQWSCEXWAJSE-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

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Related Compounds

4-(5-amino-4-methylpentanoyl)-1,4-diazepan-2-one
CID 82688047
4-(3-aminobutanoyl)-1,4-diazepan-2-one
CID 65366461
1-(4-amino-3-methylbutanoyl)-1,4-diazepan-5-one
CID 81079124
4-amino-3-methyl-1-pyrrolidin-1-ylbutan-1-one
CID 81070855
4-pentanoyl-1,4-diazepan-2-one
CID 62898703
4-(2-amino-4-methylpentanoyl)-1,4-diazepan-2-one
CID 65366224
ethyl 3-oxo-1,4-diazepane-1-carboxylate
CID 62897975
N'-hydroxy-3-oxo-3-(3-oxo-1,4-diazepan-1-yl)propanimidamide
CID 77066466
4-[2-(cyclopentylamino)acetyl]-1,4-diazepan-2-one
CID 65366267
3-[ethyl-(3-oxo-1,4-diazepane-1-carbonyl)amino]butanoic acid
CID 65364098
ethyl 2-oxo-2-(3-oxo-1,4-diazepan-1-yl)acetate
CID 65363959
4-[3-(ethylamino)-2-methylpropanoyl]-1,4-diazepan-2-one
CID 65366124

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-3-methylbutanoyl)-1,4-diazepan-2-one?
The IUPAC name of 4-(4-amino-3-methylbutanoyl)-1,4-diazepan-2-one (CID 81080784) is 4-(4-amino-3-methylbutanoyl)-1,4-diazepan-2-one.
What is the SMILES notation for 4-(4-amino-3-methylbutanoyl)-1,4-diazepan-2-one?
The canonical SMILES for 4-(4-amino-3-methylbutanoyl)-1,4-diazepan-2-one is CC(CN)CC(=O)N1CCCNC(=O)C1.
What is the InChIKey of 4-(4-amino-3-methylbutanoyl)-1,4-diazepan-2-one?
The InChIKey is VXUQWSCEXWAJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-8(6-11)5-10(15)13-4-2-3-12-9(14)7-13/h8H,2-7,11H2,1H3,(H,12,14).
What are the key properties of 4-(4-amino-3-methylbutanoyl)-1,4-diazepan-2-one?
4-(4-amino-3-methylbutanoyl)-1,4-diazepan-2-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 4-(4-amino-3-methylbutanoyl)-1,4-diazepan-2-one is sourced from PubChem (CID 81080784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).