2-ethyl-2-(hexylamino)butanoic acid

C12H25NO2 — CID 79804258

IUPAC2-ethyl-2-(hexylamino)butanoic acid
SMILESCCCCCCNC(CC)(CC)C(=O)O
InChIInChI=1S/C12H25NO2/c1-4-7-8-9-10-13-12(5-2,6-3)11(14)15/h13H,4-10H2,1-3H3,(H,14,15)
InChIKeyRDFTXZWFHUXOGI-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.80
Rot. Bonds9

About 2-ethyl-2-(hexylamino)butanoic acid

2-ethyl-2-(hexylamino)butanoic acid (PubChem CID 79804258) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 2-ethyl-2-(hexylamino)butanoic acid.

Molecular Properties

Compound Name2-ethyl-2-(hexylamino)butanoic acid
PubChem CID79804258
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name2-ethyl-2-(hexylamino)butanoic acid
SMILESCCCCCCNC(CC)(CC)C(=O)O
InChIInChI=1S/C12H25NO2/c1-4-7-8-9-10-13-12(5-2,6-3)11(14)15/h13H,4-10H2,1-3H3,(H,14,15)
InChIKeyRDFTXZWFHUXOGI-UHFFFAOYSA-N
XLogP2.80
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-ethyl-2-(hexylamino)butanoic 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

2-(docosylamino)-4-hydroxy-2-(2-hydroxyethyl)butanoic acid
CID 158170321
2-ethyl-4-methyl-2-(pentylamino)hexanoic acid
CID 114994123
2-(3-aminopropylamino)-2-ethylbutanoic acid
CID 78987423
2-ethyl-2-(4-methoxybutylamino)butanoic acid
CID 115595143
2-(butylamino)-2-ethyl-4-oxopentanoic acid
CID 122603773
2-(nonylamino)-2-(2-oxoethyl)hexanoic acid
CID 170325808
2-methyl-2-(nonylamino)propanoic acid
CID 65263943
2,2-dichloro-2-(icosylamino)acetic acid
CID 141336439
2-ethyl-2-(2-ethylsulfonylethylamino)butanoic acid
CID 79810255
2-[[2-(butylcarbamoylamino)-2-oxoethyl]amino]-2-ethylbutanoic acid
CID 79809115
2-hydroxy-2-(pentylamino)propanoic acid;N-methylmethanamine
CID 174330737
2-methyl-2-(nonylcarbamoylamino)butanoic acid
CID 43129072

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(hexylamino)butanoic acid?
The IUPAC name of 2-ethyl-2-(hexylamino)butanoic acid (CID 79804258) is 2-ethyl-2-(hexylamino)butanoic acid.
What is the SMILES notation for 2-ethyl-2-(hexylamino)butanoic acid?
The canonical SMILES for 2-ethyl-2-(hexylamino)butanoic acid is CCCCCCNC(CC)(CC)C(=O)O.
What is the InChIKey of 2-ethyl-2-(hexylamino)butanoic acid?
The InChIKey is RDFTXZWFHUXOGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-4-7-8-9-10-13-12(5-2,6-3)11(14)15/h13H,4-10H2,1-3H3,(H,14,15).
What are the key properties of 2-ethyl-2-(hexylamino)butanoic acid?
2-ethyl-2-(hexylamino)butanoic acid has a molecular weight of 215.34 g/mol, XLogP of 2.80, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(hexylamino)butanoic acid is sourced from PubChem (CID 79804258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).