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

C8H16N2O3 — CID 64894865

IUPAC3-amino-4-(diethylamino)-4-oxobutanoic acid
SMILESCCN(CC)C(=O)C(N)CC(=O)O
InChIInChI=1S/C8H16N2O3/c1-3-10(4-2)8(13)6(9)5-7(11)12/h6H,3-5,9H2,1-2H3,(H,11,12)
InChIKeyYZAABDBINIWLKM-UHFFFAOYSA-N
MW188.23 g/mol
LogP-0.34
Rot. Bonds5

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

3-amino-4-(diethylamino)-4-oxobutanoic acid (PubChem CID 64894865) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is 3-amino-4-(diethylamino)-4-oxobutanoic acid.

Molecular Properties

Compound Name3-amino-4-(diethylamino)-4-oxobutanoic acid
PubChem CID64894865
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Name3-amino-4-(diethylamino)-4-oxobutanoic acid
SMILESCCN(CC)C(=O)C(N)CC(=O)O
InChIInChI=1S/C8H16N2O3/c1-3-10(4-2)8(13)6(9)5-7(11)12/h6H,3-5,9H2,1-2H3,(H,11,12)
InChIKeyYZAABDBINIWLKM-UHFFFAOYSA-N
XLogP-0.34
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 5-0.34
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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3-Acetylaminocarnitine
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CID 11206225
H-Asp-Ala-Asp-Asp-OH
CID 10094442
Asp-Ala-Asp
CID 44271740

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(diethylamino)-4-oxobutanoic acid?
The IUPAC name of 3-amino-4-(diethylamino)-4-oxobutanoic acid (CID 64894865) is 3-amino-4-(diethylamino)-4-oxobutanoic acid.
What is the SMILES notation for 3-amino-4-(diethylamino)-4-oxobutanoic acid?
The canonical SMILES for 3-amino-4-(diethylamino)-4-oxobutanoic acid is CCN(CC)C(=O)C(N)CC(=O)O.
What is the InChIKey of 3-amino-4-(diethylamino)-4-oxobutanoic acid?
The InChIKey is YZAABDBINIWLKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3/c1-3-10(4-2)8(13)6(9)5-7(11)12/h6H,3-5,9H2,1-2H3,(H,11,12).
What are the key properties of 3-amino-4-(diethylamino)-4-oxobutanoic acid?
3-amino-4-(diethylamino)-4-oxobutanoic acid has a molecular weight of 188.23 g/mol, XLogP of -0.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(diethylamino)-4-oxobutanoic acid is sourced from PubChem (CID 64894865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).