3-(2-ethylhexylamino)-2-methylbutanoic acid

C13H27NO2 — CID 107816704

IUPAC3-(2-ethylhexylamino)-2-methylbutanoic acid
SMILESCCCCC(CC)CNC(C)C(C)C(=O)O
InChIInChI=1S/C13H27NO2/c1-5-7-8-12(6-2)9-14-11(4)10(3)13(15)16/h10-12,14H,5-9H2,1-4H3,(H,15,16)
InChIKeyUQVXQBYXIXVSBU-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.90
Rot. Bonds9

About 3-(2-ethylhexylamino)-2-methylbutanoic acid

3-(2-ethylhexylamino)-2-methylbutanoic acid (PubChem CID 107816704) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 3-(2-ethylhexylamino)-2-methylbutanoic acid.

Molecular Properties

Compound Name3-(2-ethylhexylamino)-2-methylbutanoic acid
PubChem CID107816704
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name3-(2-ethylhexylamino)-2-methylbutanoic acid
SMILESCCCCC(CC)CNC(C)C(C)C(=O)O
InChIInChI=1S/C13H27NO2/c1-5-7-8-12(6-2)9-14-11(4)10(3)13(15)16/h10-12,14H,5-9H2,1-4H3,(H,15,16)
InChIKeyUQVXQBYXIXVSBU-UHFFFAOYSA-N
XLogP2.90
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(2-ethylhexylamino)-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

(2S)-2-(2-ethylhexylamino)pentanedioic acid
CID 87572097
2-methyl-3-(pentylamino)butanoic acid
CID 79391822
3-(2-ethylhexylcarbamoylamino)-2-methylpropanoic acid
CID 107817398
2-methyl-3-(2-methylpropylamino)butanoic acid
CID 79391820
(2-ethylhexylamino)carbamic acid
CID 151602670
2-amino-3-(2-ethylhexylamino)propanoic acid
CID 107816719
(2S)-2-(2-ethylhexylamino)-3-phenylpropanoic acid
CID 68969533
(2S)-6-amino-2-(2-ethylhexylamino)hexanoic acid;propanoic acid
CID 162157339
(4S)-4-(2-ethylhexylamino)-5-oxopentanoic acid
CID 90948928
2-N-(2-ethylhexyl)propane-1,2-diamine
CID 57275977
N-(3,3-dimethylbutan-2-yl)-2-ethylhexan-1-amine
CID 104828083
2-[(2-ethylhexylcarbamoylamino)methyl]-4-methylpentanoic acid
CID 107817347

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylhexylamino)-2-methylbutanoic acid?
The IUPAC name of 3-(2-ethylhexylamino)-2-methylbutanoic acid (CID 107816704) is 3-(2-ethylhexylamino)-2-methylbutanoic acid.
What is the SMILES notation for 3-(2-ethylhexylamino)-2-methylbutanoic acid?
The canonical SMILES for 3-(2-ethylhexylamino)-2-methylbutanoic acid is CCCCC(CC)CNC(C)C(C)C(=O)O.
What is the InChIKey of 3-(2-ethylhexylamino)-2-methylbutanoic acid?
The InChIKey is UQVXQBYXIXVSBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-5-7-8-12(6-2)9-14-11(4)10(3)13(15)16/h10-12,14H,5-9H2,1-4H3,(H,15,16).
What are the key properties of 3-(2-ethylhexylamino)-2-methylbutanoic acid?
3-(2-ethylhexylamino)-2-methylbutanoic acid has a molecular weight of 229.36 g/mol, XLogP of 2.90, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylhexylamino)-2-methylbutanoic acid is sourced from PubChem (CID 107816704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).