2-amino-3-(2-ethylhexylamino)propanoic acid

C11H24N2O2 — CID 107816719

IUPAC2-amino-3-(2-ethylhexylamino)propanoic acid
SMILESCCCCC(CC)CNCC(N)C(=O)O
InChIInChI=1S/C11H24N2O2/c1-3-5-6-9(4-2)7-13-8-10(12)11(14)15/h9-10,13H,3-8,12H2,1-2H3,(H,14,15)
InChIKeySOHIACJZMZQDDT-UHFFFAOYSA-N
MW216.32 g/mol
LogP1.20
Rot. Bonds9

About 2-amino-3-(2-ethylhexylamino)propanoic acid

2-amino-3-(2-ethylhexylamino)propanoic acid (PubChem CID 107816719) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is 2-amino-3-(2-ethylhexylamino)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(2-ethylhexylamino)propanoic acid
PubChem CID107816719
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Name2-amino-3-(2-ethylhexylamino)propanoic acid
SMILESCCCCC(CC)CNCC(N)C(=O)O
InChIInChI=1S/C11H24N2O2/c1-3-5-6-9(4-2)7-13-8-10(12)11(14)15/h9-10,13H,3-8,12H2,1-2H3,(H,14,15)
InChIKeySOHIACJZMZQDDT-UHFFFAOYSA-N
XLogP1.20
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

octakis(dihydroxy(dioxo)molybdenum);2-ethyl-N-(2-ethylhexyl)hexan-1-amine
CID 173007117
dihydroxy(dioxo)molybdenum;2-ethyl-N-(2-ethylhexyl)hexan-1-amine
CID 87301269
magnesium;2-ethyl-N-(2-ethylhexyl)hexan-1-amine;dichloride
CID 174776336
N,2-diethylhexan-1-amine
CID 14272988
(2S)-2-aminohexanoic acid;dihydrochloride
CID 142770522
3-N-(2-ethylhexyl)propane-1,1,3-triamine
CID 142717096
3-(2-ethylhexylamino)-2-methylbutanoic acid
CID 107816704
2-amino-3-(2-ethylbutylamino)propanamide
CID 103267063
(2-ethylhexylamino)carbamic acid
CID 151602670
(2S,4S)-N-[(2R,4R)-2,4-diethyloctyl]-2,4-diethyloctan-1-amine
CID 97464987
(2S)-2-aminohexanoic acid;(2R)-2-aminopentanoic acid
CID 158530553
(2S,4S)-N-[(2S,4S)-2,4-diethyloctyl]-2,4-diethyloctan-1-amine
CID 97464990

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2-ethylhexylamino)propanoic acid?
The IUPAC name of 2-amino-3-(2-ethylhexylamino)propanoic acid (CID 107816719) is 2-amino-3-(2-ethylhexylamino)propanoic acid.
What is the SMILES notation for 2-amino-3-(2-ethylhexylamino)propanoic acid?
The canonical SMILES for 2-amino-3-(2-ethylhexylamino)propanoic acid is CCCCC(CC)CNCC(N)C(=O)O.
What is the InChIKey of 2-amino-3-(2-ethylhexylamino)propanoic acid?
The InChIKey is SOHIACJZMZQDDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-3-5-6-9(4-2)7-13-8-10(12)11(14)15/h9-10,13H,3-8,12H2,1-2H3,(H,14,15).
What are the key properties of 2-amino-3-(2-ethylhexylamino)propanoic acid?
2-amino-3-(2-ethylhexylamino)propanoic acid has a molecular weight of 216.32 g/mol, XLogP of 1.20, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2-ethylhexylamino)propanoic acid is sourced from PubChem (CID 107816719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).