3-amino-4-(dibutylamino)-4-oxobutanoic acid

C12H24N2O3 — CID 64896062

IUPAC3-amino-4-(dibutylamino)-4-oxobutanoic acid
SMILESCCCCN(CCCC)C(=O)C(N)CC(=O)O
InChIInChI=1S/C12H24N2O3/c1-3-5-7-14(8-6-4-2)12(17)10(13)9-11(15)16/h10H,3-9,13H2,1-2H3,(H,15,16)
InChIKeyZKMSTUGBDYJSLT-UHFFFAOYSA-N
MW244.33 g/mol
LogP1.22
Rot. Bonds9

About 3-amino-4-(dibutylamino)-4-oxobutanoic acid

3-amino-4-(dibutylamino)-4-oxobutanoic acid (PubChem CID 64896062) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 3-amino-4-(dibutylamino)-4-oxobutanoic acid.

Molecular Properties

Compound Name3-amino-4-(dibutylamino)-4-oxobutanoic acid
PubChem CID64896062
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name3-amino-4-(dibutylamino)-4-oxobutanoic acid
SMILESCCCCN(CCCC)C(=O)C(N)CC(=O)O
InChIInChI=1S/C12H24N2O3/c1-3-5-7-14(8-6-4-2)12(17)10(13)9-11(15)16/h10H,3-9,13H2,1-2H3,(H,15,16)
InChIKeyZKMSTUGBDYJSLT-UHFFFAOYSA-N
XLogP1.22
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Sakacin A
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Asp-boroPro
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NoName_1308
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H-Asp-Ala-Asp-Asp-OH
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Asp-Ala-Asp
CID 44271740

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(dibutylamino)-4-oxobutanoic acid?
The IUPAC name of 3-amino-4-(dibutylamino)-4-oxobutanoic acid (CID 64896062) is 3-amino-4-(dibutylamino)-4-oxobutanoic acid.
What is the SMILES notation for 3-amino-4-(dibutylamino)-4-oxobutanoic acid?
The canonical SMILES for 3-amino-4-(dibutylamino)-4-oxobutanoic acid is CCCCN(CCCC)C(=O)C(N)CC(=O)O.
What is the InChIKey of 3-amino-4-(dibutylamino)-4-oxobutanoic acid?
The InChIKey is ZKMSTUGBDYJSLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-3-5-7-14(8-6-4-2)12(17)10(13)9-11(15)16/h10H,3-9,13H2,1-2H3,(H,15,16).
What are the key properties of 3-amino-4-(dibutylamino)-4-oxobutanoic acid?
3-amino-4-(dibutylamino)-4-oxobutanoic acid has a molecular weight of 244.33 g/mol, XLogP of 1.22, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(dibutylamino)-4-oxobutanoic acid is sourced from PubChem (CID 64896062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).