4-(ethylamino)-2-methylbutanoic acid

C7H15NO2 — CID 54099328

IUPAC4-(ethylamino)-2-methylbutanoic acid
SMILESCCNCCC(C)C(=O)O
InChIInChI=1S/C7H15NO2/c1-3-8-5-4-6(2)7(9)10/h6,8H,3-5H2,1-2H3,(H,9,10)
InChIKeyVPJWGWQUQXIJNP-UHFFFAOYSA-N
MW145.20 g/mol
LogP0.71
Rot. Bonds5

About 4-(ethylamino)-2-methylbutanoic acid

4-(ethylamino)-2-methylbutanoic acid (PubChem CID 54099328) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is 4-(ethylamino)-2-methylbutanoic acid.

Molecular Properties

Compound Name4-(ethylamino)-2-methylbutanoic acid
PubChem CID54099328
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name4-(ethylamino)-2-methylbutanoic acid
SMILESCCNCCC(C)C(=O)O
InChIInChI=1S/C7H15NO2/c1-3-8-5-4-6(2)7(9)10/h6,8H,3-5H2,1-2H3,(H,9,10)
InChIKeyVPJWGWQUQXIJNP-UHFFFAOYSA-N
XLogP0.71
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-(ethylamino)-2-methylbutanoic acid with MolForge

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

Launch Full Analysis

Related Compounds

(2R)-2-amino-4-(ethylamino)butanoic acid
CID 44891253
6-[3-(ethylamino)propanoylamino]-2-methylheptanoic acid
CID 65286188
4-(cyclobutylmethylamino)-2-methylbutanoic acid
CID 115220789
3-[3-(ethylamino)propanoylamino]-2-methylpropanoic acid
CID 62836532
4-(cyclopentylmethylamino)-2-methylbutanoic acid
CID 115220780
4-amino-2-methylbutanoic acid
CID 3759025
CID 159174397
CID 159174397
CID 162681421
CID 162681421
4-(2-aminobutanoylamino)-2-methylbutanoic acid
CID 80539879
4-(methoxycarbonylamino)-2-methylbutanoic acid
CID 80540364
4-(carbamothioylamino)-2-methylbutanoic acid
CID 88920180
5-(ethylamino)pentan-2-ylcarbamic acid
CID 87840492

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-2-methylbutanoic acid?
The IUPAC name of 4-(ethylamino)-2-methylbutanoic acid (CID 54099328) is 4-(ethylamino)-2-methylbutanoic acid.
What is the SMILES notation for 4-(ethylamino)-2-methylbutanoic acid?
The canonical SMILES for 4-(ethylamino)-2-methylbutanoic acid is CCNCCC(C)C(=O)O.
What is the InChIKey of 4-(ethylamino)-2-methylbutanoic acid?
The InChIKey is VPJWGWQUQXIJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-3-8-5-4-6(2)7(9)10/h6,8H,3-5H2,1-2H3,(H,9,10).
What are the key properties of 4-(ethylamino)-2-methylbutanoic acid?
4-(ethylamino)-2-methylbutanoic acid has a molecular weight of 145.20 g/mol, XLogP of 0.71, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-2-methylbutanoic acid is sourced from PubChem (CID 54099328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).