[methyl(4-oxobutanoyl)amino] 6-[methyl-[(Z)-4-oxobut-2-enoyl]amino]hexanoate

C16H24N2O6 — CID 142543352

IUPAC[methyl(4-oxobutanoyl)amino] 6-[methyl-[(Z)-4-oxobut-2-enoyl]amino]hexanoate
SMILESCN(CCCCCC(=O)ON(C)C(=O)CCC=O)C(=O)/C=C\C=O
InChIInChI=1S/C16H24N2O6/c1-17(14(21)8-6-12-19)11-5-3-4-10-16(23)24-18(2)15(22)9-7-13-20/h6,8,12-13H,3-5,7,9-11H2,1-2H3/b8-6-
InChIKeyQRXAUCNTWNMMEG-VURMDHGXSA-N
MW340.38 g/mol
LogP0.66
Rot. Bonds11

About [methyl(4-oxobutanoyl)amino] 6-[methyl-[(Z)-4-oxobut-2-enoyl]amino]hexanoate

[methyl(4-oxobutanoyl)amino] 6-[methyl-[(Z)-4-oxobut-2-enoyl]amino]hexanoate (PubChem CID 142543352) has the molecular formula C16H24N2O6 and a molecular weight of 340.38 g/mol. Its IUPAC name is [methyl(4-oxobutanoyl)amino] 6-[methyl-[(Z)-4-oxobut-2-enoyl]amino]hexanoate.

Molecular Properties

Compound Name[methyl(4-oxobutanoyl)amino] 6-[methyl-[(Z)-4-oxobut-2-enoyl]amino]hexanoate
PubChem CID142543352
Molecular FormulaC16H24N2O6
Molecular Weight340.38 g/mol
Exact Mass340.16
IUPAC Name[methyl(4-oxobutanoyl)amino] 6-[methyl-[(Z)-4-oxobut-2-enoyl]amino]hexanoate
SMILESCN(CCCCCC(=O)ON(C)C(=O)CCC=O)C(=O)/C=C\C=O
InChIInChI=1S/C16H24N2O6/c1-17(14(21)8-6-12-19)11-5-3-4-10-16(23)24-18(2)15(22)9-7-13-20/h6,8,12-13H,3-5,7,9-11H2,1-2H3/b8-6-
InChIKeyQRXAUCNTWNMMEG-VURMDHGXSA-N
XLogP0.66
TPSA101.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [methyl(4-oxobutanoyl)amino] 6-[methyl-[(Z)-4-oxobut-2-enoyl]amino]hexanoate with MolForge

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Related Compounds

(2,5-dioxopyrrolidin-1-yl) 6-[[(Z)-but-2-enoyl]-formylamino]hexanoate
CID 118287001
methyl 6-[methyl-[(Z)-4-oxobut-2-enoyl]amino]hexanoate
CID 129054066
6-[methyl-[(Z)-4-oxobut-2-enoyl]amino]hexanoic acid
CID 129109200
butyl 6-[methyl-[(Z)-4-oxobut-2-enoyl]amino]hexanoate
CID 129207710
[Methyl(4-oxobutanoyl)amino] 6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]hexanoate
CID 130243168
[methyl(4-oxobutanoyl)amino] 6-[3-[methyl-[(Z)-4-oxobut-2-enoyl]amino]propanoylamino]hexanoate
CID 137446019
(2,5-dioxopyrrolidin-1-yl) 6-[3-[methyl-[(Z)-4-oxobut-2-enoyl]amino]propanoylamino]hexanoate
CID 138739507
(2,5-dioxopyrrolidin-1-yl) 6-[methyl-[(Z)-4-oxobut-2-enoyl]amino]hexanoate
CID 139457947
(2,5-Dioxopyrrolidin-1-yl) 6-(2,5-dioxopyrrol-1-yl)hexanoate;ethane
CID 142478892
(Z)-but-2-enal;[methyl(4-oxobutanoyl)amino] 6-[formyl(methyl)amino]hexanoate
CID 142543324
[Methyl(4-oxobutanoyl)amino] 6-(2,5-dioxopyrrol-1-yl)hexanoate
CID 144265351
[di(propanoyl)amino] 2-ethyl-6-[methyl-[(Z)-4-oxobut-2-enoyl]amino]hexanoate
CID 144322429

Frequently Asked Questions

What is the IUPAC name of [methyl(4-oxobutanoyl)amino] 6-[methyl-[(Z)-4-oxobut-2-enoyl]amino]hexanoate?
The IUPAC name of [methyl(4-oxobutanoyl)amino] 6-[methyl-[(Z)-4-oxobut-2-enoyl]amino]hexanoate (CID 142543352) is [methyl(4-oxobutanoyl)amino] 6-[methyl-[(Z)-4-oxobut-2-enoyl]amino]hexanoate.
What is the SMILES notation for [methyl(4-oxobutanoyl)amino] 6-[methyl-[(Z)-4-oxobut-2-enoyl]amino]hexanoate?
The canonical SMILES for [methyl(4-oxobutanoyl)amino] 6-[methyl-[(Z)-4-oxobut-2-enoyl]amino]hexanoate is CN(CCCCCC(=O)ON(C)C(=O)CCC=O)C(=O)/C=C\C=O.
What is the InChIKey of [methyl(4-oxobutanoyl)amino] 6-[methyl-[(Z)-4-oxobut-2-enoyl]amino]hexanoate?
The InChIKey is QRXAUCNTWNMMEG-VURMDHGXSA-N. The full InChI is InChI=1S/C16H24N2O6/c1-17(14(21)8-6-12-19)11-5-3-4-10-16(23)24-18(2)15(22)9-7-13-20/h6,8,12-13H,3-5,7,9-11H2,1-2H3/b8-6-.
What are the key properties of [methyl(4-oxobutanoyl)amino] 6-[methyl-[(Z)-4-oxobut-2-enoyl]amino]hexanoate?
[methyl(4-oxobutanoyl)amino] 6-[methyl-[(Z)-4-oxobut-2-enoyl]amino]hexanoate has a molecular weight of 340.38 g/mol, XLogP of 0.66, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [methyl(4-oxobutanoyl)amino] 6-[methyl-[(Z)-4-oxobut-2-enoyl]amino]hexanoate is sourced from PubChem (CID 142543352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).