3-amino-2-[ethyl(2-ethylbutyl)amino]propanoic acid

C11H24N2O2 — CID 64694404

IUPAC3-amino-2-[ethyl(2-ethylbutyl)amino]propanoic acid
SMILESCCC(CC)CN(CC)C(CN)C(=O)O
InChIInChI=1S/C11H24N2O2/c1-4-9(5-2)8-13(6-3)10(7-12)11(14)15/h9-10H,4-8,12H2,1-3H3,(H,14,15)
InChIKeyWIARJHBPKQHHGS-UHFFFAOYSA-N
MW216.32 g/mol
LogP1.16
Rot. Bonds8

About 3-amino-2-[ethyl(2-ethylbutyl)amino]propanoic acid

3-amino-2-[ethyl(2-ethylbutyl)amino]propanoic acid (PubChem CID 64694404) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is 3-amino-2-[ethyl(2-ethylbutyl)amino]propanoic acid.

Molecular Properties

Compound Name3-amino-2-[ethyl(2-ethylbutyl)amino]propanoic acid
PubChem CID64694404
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Name3-amino-2-[ethyl(2-ethylbutyl)amino]propanoic acid
SMILESCCC(CC)CN(CC)C(CN)C(=O)O
InChIInChI=1S/C11H24N2O2/c1-4-9(5-2)8-13(6-3)10(7-12)11(14)15/h9-10H,4-8,12H2,1-3H3,(H,14,15)
InChIKeyWIARJHBPKQHHGS-UHFFFAOYSA-N
XLogP1.16
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-[ethyl(hydroxy)amino]propanoic acid
CID 130825760
3-amino-2-[methyl(pentan-3-yl)amino]propanoic acid
CID 64695623
2,5-bis(diethylamino)hexanedioic acid
CID 175154471
2-[ethyl(2-ethylbutyl)amino]-2-phenylacetic acid
CID 61436697
2-N-ethyl-2-N-(2-ethylbutyl)-3,3-dimethylbutane-1,2-diamine
CID 61437108
2-N-ethyl-2-N-(2-ethylbutyl)pentane-1,2-diamine
CID 61436765
tert-butyl N-[4-amino-3-[ethyl(2-ethylbutyl)amino]butan-2-yl]carbamate
CID 102729760
(2R)-2-(diethylamino)pentanoic acid
CID 30030442
2,7-bis(diethylamino)octanedioic acid
CID 175151576
2-[ethyl(2-hydroxyethyl)amino]butanoic acid
CID 60981042
2-(diethylamino)-3-[2-(diethylamino)ethyl-ethylamino]propanoic acid
CID 23592928
N'-[1-(dimethylamino)propan-2-yl]-N',2-diethylpropane-1,3-diamine
CID 103189603

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[ethyl(2-ethylbutyl)amino]propanoic acid?
The IUPAC name of 3-amino-2-[ethyl(2-ethylbutyl)amino]propanoic acid (CID 64694404) is 3-amino-2-[ethyl(2-ethylbutyl)amino]propanoic acid.
What is the SMILES notation for 3-amino-2-[ethyl(2-ethylbutyl)amino]propanoic acid?
The canonical SMILES for 3-amino-2-[ethyl(2-ethylbutyl)amino]propanoic acid is CCC(CC)CN(CC)C(CN)C(=O)O.
What is the InChIKey of 3-amino-2-[ethyl(2-ethylbutyl)amino]propanoic acid?
The InChIKey is WIARJHBPKQHHGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-4-9(5-2)8-13(6-3)10(7-12)11(14)15/h9-10H,4-8,12H2,1-3H3,(H,14,15).
What are the key properties of 3-amino-2-[ethyl(2-ethylbutyl)amino]propanoic acid?
3-amino-2-[ethyl(2-ethylbutyl)amino]propanoic acid has a molecular weight of 216.32 g/mol, XLogP of 1.16, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[ethyl(2-ethylbutyl)amino]propanoic acid is sourced from PubChem (CID 64694404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).