[methyl(4-oxobutanoyl)amino] 4-(dimethylamino)butanoate

C11H20N2O4 — CID 178100525

IUPAC[methyl(4-oxobutanoyl)amino] 4-(dimethylamino)butanoate
SMILESCN(C)CCCC(=O)ON(C)C(=O)CCC=O
InChIInChI=1S/C11H20N2O4/c1-12(2)8-4-7-11(16)17-13(3)10(15)6-5-9-14/h9H,4-8H2,1-3H3
InChIKeyOALOXPWZUPMTPP-UHFFFAOYSA-N
MW244.29 g/mol
LogP0.22
Rot. Bonds7

About [methyl(4-oxobutanoyl)amino] 4-(dimethylamino)butanoate

[methyl(4-oxobutanoyl)amino] 4-(dimethylamino)butanoate (PubChem CID 178100525) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is [methyl(4-oxobutanoyl)amino] 4-(dimethylamino)butanoate.

Molecular Properties

Compound Name[methyl(4-oxobutanoyl)amino] 4-(dimethylamino)butanoate
PubChem CID178100525
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name[methyl(4-oxobutanoyl)amino] 4-(dimethylamino)butanoate
SMILESCN(C)CCCC(=O)ON(C)C(=O)CCC=O
InChIInChI=1S/C11H20N2O4/c1-12(2)8-4-7-11(16)17-13(3)10(15)6-5-9-14/h9H,4-8H2,1-3H3
InChIKeyOALOXPWZUPMTPP-UHFFFAOYSA-N
XLogP0.22
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[methyl(4-oxobutanoyl)amino] 5-(methylamino)-5-oxopentanoate
CID 167132145
N-hydroperoxy-N-methyl-4-oxobutanamide
CID 172627097
1-O-(2,5-dioxopyrrolidin-1-yl) 11-O-[methyl(4-oxobutanoyl)amino] undecanedioate
CID 126540985
[methyl(4-oxobutanoyl)amino] 3-(2-ethoxyethylamino)propanoate
CID 162740365
N-methyl-4-oxo-N-propoxybutanamide
CID 130192100
[methyl(4-oxobutanoyl)amino] 1-formylcyclobutane-1-carboxylate
CID 144870608
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
[methyl(4-oxobutanoyl)amino] 4-(6-amino-7-methoxy-2,2,4-trimethylquinolin-1-yl)butanoate
CID 167096829
ethyl 7-(dimethylamino)heptanoate
CID 170069476
[(2S)-2,3-dihydroxypropyl] 4-(dimethylamino)butanoate
CID 164815624
butyl 4-(dimethylamino)butanoate
CID 89434908

Frequently Asked Questions

What is the IUPAC name of [methyl(4-oxobutanoyl)amino] 4-(dimethylamino)butanoate?
The IUPAC name of [methyl(4-oxobutanoyl)amino] 4-(dimethylamino)butanoate (CID 178100525) is [methyl(4-oxobutanoyl)amino] 4-(dimethylamino)butanoate.
What is the SMILES notation for [methyl(4-oxobutanoyl)amino] 4-(dimethylamino)butanoate?
The canonical SMILES for [methyl(4-oxobutanoyl)amino] 4-(dimethylamino)butanoate is CN(C)CCCC(=O)ON(C)C(=O)CCC=O.
What is the InChIKey of [methyl(4-oxobutanoyl)amino] 4-(dimethylamino)butanoate?
The InChIKey is OALOXPWZUPMTPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-12(2)8-4-7-11(16)17-13(3)10(15)6-5-9-14/h9H,4-8H2,1-3H3.
What are the key properties of [methyl(4-oxobutanoyl)amino] 4-(dimethylamino)butanoate?
[methyl(4-oxobutanoyl)amino] 4-(dimethylamino)butanoate has a molecular weight of 244.29 g/mol, XLogP of 0.22, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [methyl(4-oxobutanoyl)amino] 4-(dimethylamino)butanoate is sourced from PubChem (CID 178100525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).