4-[butanoyl(dimethylamino)amino]butanoate

C10H19N2O3- — CID 3024666

IUPAC4-[butanoyl(dimethylamino)amino]butanoate
SMILESCCCC(=O)N(CCCC(=O)[O-])N(C)C
InChIInChI=1S/C10H20N2O3/c1-4-6-9(13)12(11(2)3)8-5-7-10(14)15/h4-8H2,1-3H3,(H,14,15)/p-1
InChIKeyZPZJFUIUDQEHJZ-UHFFFAOYSA-M
MW215.27 g/mol
LogP-0.38
Rot. Bonds7

About 4-[butanoyl(dimethylamino)amino]butanoate

4-[butanoyl(dimethylamino)amino]butanoate (PubChem CID 3024666) has the molecular formula C10H19N2O3- and a molecular weight of 215.27 g/mol. Its IUPAC name is 4-[butanoyl(dimethylamino)amino]butanoate.

Molecular Properties

Compound Name4-[butanoyl(dimethylamino)amino]butanoate
PubChem CID3024666
Molecular FormulaC10H19N2O3-
Molecular Weight215.27 g/mol
Exact Mass215.14
IUPAC Name4-[butanoyl(dimethylamino)amino]butanoate
SMILESCCCC(=O)N(CCCC(=O)[O-])N(C)C
InChIInChI=1S/C10H20N2O3/c1-4-6-9(13)12(11(2)3)8-5-7-10(14)15/h4-8H2,1-3H3,(H,14,15)/p-1
InChIKeyZPZJFUIUDQEHJZ-UHFFFAOYSA-M
XLogP-0.38
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.27
LogP ≤ 5-0.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[butanoyl(dimethylamino)amino]butanoate?
The IUPAC name of 4-[butanoyl(dimethylamino)amino]butanoate (CID 3024666) is 4-[butanoyl(dimethylamino)amino]butanoate.
What is the SMILES notation for 4-[butanoyl(dimethylamino)amino]butanoate?
The canonical SMILES for 4-[butanoyl(dimethylamino)amino]butanoate is CCCC(=O)N(CCCC(=O)[O-])N(C)C.
What is the InChIKey of 4-[butanoyl(dimethylamino)amino]butanoate?
The InChIKey is ZPZJFUIUDQEHJZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H20N2O3/c1-4-6-9(13)12(11(2)3)8-5-7-10(14)15/h4-8H2,1-3H3,(H,14,15)/p-1.
What are the key properties of 4-[butanoyl(dimethylamino)amino]butanoate?
4-[butanoyl(dimethylamino)amino]butanoate has a molecular weight of 215.27 g/mol, XLogP of -0.38, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[butanoyl(dimethylamino)amino]butanoate is sourced from PubChem (CID 3024666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).