[methyl(4-oxobutanoyl)amino] 5-(methylamino)-5-oxopentanoate

C11H18N2O5 — CID 167132145

IUPAC[methyl(4-oxobutanoyl)amino] 5-(methylamino)-5-oxopentanoate
SMILESCNC(=O)CCCC(=O)ON(C)C(=O)CCC=O
InChIInChI=1S/C11H18N2O5/c1-12-9(15)5-3-7-11(17)18-13(2)10(16)6-4-8-14/h8H,3-7H2,1-2H3,(H,12,15)
InChIKeyVKNCGPKNYKFWOP-UHFFFAOYSA-N
MW258.27 g/mol
LogP-0.20
Rot. Bonds7

About [methyl(4-oxobutanoyl)amino] 5-(methylamino)-5-oxopentanoate

[methyl(4-oxobutanoyl)amino] 5-(methylamino)-5-oxopentanoate (PubChem CID 167132145) has the molecular formula C11H18N2O5 and a molecular weight of 258.27 g/mol. Its IUPAC name is [methyl(4-oxobutanoyl)amino] 5-(methylamino)-5-oxopentanoate.

Molecular Properties

Compound Name[methyl(4-oxobutanoyl)amino] 5-(methylamino)-5-oxopentanoate
PubChem CID167132145
Molecular FormulaC11H18N2O5
Molecular Weight258.27 g/mol
Exact Mass258.12
IUPAC Name[methyl(4-oxobutanoyl)amino] 5-(methylamino)-5-oxopentanoate
SMILESCNC(=O)CCCC(=O)ON(C)C(=O)CCC=O
InChIInChI=1S/C11H18N2O5/c1-12-9(15)5-3-7-11(17)18-13(2)10(16)6-4-8-14/h8H,3-7H2,1-2H3,(H,12,15)
InChIKeyVKNCGPKNYKFWOP-UHFFFAOYSA-N
XLogP-0.20
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [methyl(4-oxobutanoyl)amino] 5-(methylamino)-5-oxopentanoate 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

[methyl(4-oxobutanoyl)amino] 4-(dimethylamino)butanoate
CID 178100525
N-hydroperoxy-N-methyl-4-oxobutanamide
CID 172627097
[methyl(4-oxobutanoyl)amino] 3-(2-ethoxyethylamino)propanoate
CID 162740365
1-O-(2,5-dioxopyrrolidin-1-yl) 11-O-[methyl(4-oxobutanoyl)amino] undecanedioate
CID 126540985
N-methyl-18-oxooctadecanamide
CID 145081820
[methyl(4-oxobutanoyl)amino] 2-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]acetate
CID 163849011
N-methyl-4-oxo-N-propoxybutanamide
CID 130192100
[methyl(4-oxobutanoyl)amino] 1-formylcyclobutane-1-carboxylate
CID 144870608
ethane;3-[1-[(Z)-ethylideneamino]penta-2,4-dienyldisulfanyl]propanal;[methyl(4-oxobutanoyl)amino] 6-(methylamino)hexanoate
CID 143867101
N,N'-dimethylheptanediamide
CID 15166696
cyclobutylmethyl [methyl(4-oxobutanoyl)amino] carbonate
CID 167072055
ethane;[methyl(4-oxobutanoyl)amino] 3-[2-methyl-4-(2-methylpent-4-yn-2-yloxy)butan-2-yl]oxypropanoate
CID 142467709

Frequently Asked Questions

What is the IUPAC name of [methyl(4-oxobutanoyl)amino] 5-(methylamino)-5-oxopentanoate?
The IUPAC name of [methyl(4-oxobutanoyl)amino] 5-(methylamino)-5-oxopentanoate (CID 167132145) is [methyl(4-oxobutanoyl)amino] 5-(methylamino)-5-oxopentanoate.
What is the SMILES notation for [methyl(4-oxobutanoyl)amino] 5-(methylamino)-5-oxopentanoate?
The canonical SMILES for [methyl(4-oxobutanoyl)amino] 5-(methylamino)-5-oxopentanoate is CNC(=O)CCCC(=O)ON(C)C(=O)CCC=O.
What is the InChIKey of [methyl(4-oxobutanoyl)amino] 5-(methylamino)-5-oxopentanoate?
The InChIKey is VKNCGPKNYKFWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O5/c1-12-9(15)5-3-7-11(17)18-13(2)10(16)6-4-8-14/h8H,3-7H2,1-2H3,(H,12,15).
What are the key properties of [methyl(4-oxobutanoyl)amino] 5-(methylamino)-5-oxopentanoate?
[methyl(4-oxobutanoyl)amino] 5-(methylamino)-5-oxopentanoate has a molecular weight of 258.27 g/mol, XLogP of -0.20, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [methyl(4-oxobutanoyl)amino] 5-(methylamino)-5-oxopentanoate is sourced from PubChem (CID 167132145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).