4-(diethylamino)-2-ethylbutanoic acid

C10H21NO2 — CID 23621590

IUPAC4-(diethylamino)-2-ethylbutanoic acid
SMILESCCC(CCN(CC)CC)C(=O)O
InChIInChI=1S/C10H21NO2/c1-4-9(10(12)13)7-8-11(5-2)6-3/h9H,4-8H2,1-3H3,(H,12,13)
InChIKeyDIDQLVDXZLBISD-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.83
Rot. Bonds7

About 4-(diethylamino)-2-ethylbutanoic acid

4-(diethylamino)-2-ethylbutanoic acid (PubChem CID 23621590) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 4-(diethylamino)-2-ethylbutanoic acid.

Molecular Properties

Compound Name4-(diethylamino)-2-ethylbutanoic acid
PubChem CID23621590
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name4-(diethylamino)-2-ethylbutanoic acid
SMILESCCC(CCN(CC)CC)C(=O)O
InChIInChI=1S/C10H21NO2/c1-4-9(10(12)13)7-8-11(5-2)6-3/h9H,4-8H2,1-3H3,(H,12,13)
InChIKeyDIDQLVDXZLBISD-UHFFFAOYSA-N
XLogP1.83
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(diethylamino)-2-ethylbutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(diethylamino)-2-ethylbutanoic acid?
The IUPAC name of 4-(diethylamino)-2-ethylbutanoic acid (CID 23621590) is 4-(diethylamino)-2-ethylbutanoic acid.
What is the SMILES notation for 4-(diethylamino)-2-ethylbutanoic acid?
The canonical SMILES for 4-(diethylamino)-2-ethylbutanoic acid is CCC(CCN(CC)CC)C(=O)O.
What is the InChIKey of 4-(diethylamino)-2-ethylbutanoic acid?
The InChIKey is DIDQLVDXZLBISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-4-9(10(12)13)7-8-11(5-2)6-3/h9H,4-8H2,1-3H3,(H,12,13).
What are the key properties of 4-(diethylamino)-2-ethylbutanoic acid?
4-(diethylamino)-2-ethylbutanoic acid has a molecular weight of 187.28 g/mol, XLogP of 1.83, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylamino)-2-ethylbutanoic acid is sourced from PubChem (CID 23621590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).