2-[2-[2-methoxyethyl(methyl)amino]ethylamino]-3-methylbutanoic acid

C11H24N2O3 — CID 103249699

IUPAC2-[2-[2-methoxyethyl(methyl)amino]ethylamino]-3-methylbutanoic acid
SMILESCOCCN(C)CCNC(C(=O)O)C(C)C
InChIInChI=1S/C11H24N2O3/c1-9(2)10(11(14)15)12-5-6-13(3)7-8-16-4/h9-10,12H,5-8H2,1-4H3,(H,14,15)
InChIKeyRGDWEZBOFGKQFR-UHFFFAOYSA-N
MW232.32 g/mol
LogP0.26
Rot. Bonds9

About 2-[2-[2-methoxyethyl(methyl)amino]ethylamino]-3-methylbutanoic acid

2-[2-[2-methoxyethyl(methyl)amino]ethylamino]-3-methylbutanoic acid (PubChem CID 103249699) has the molecular formula C11H24N2O3 and a molecular weight of 232.32 g/mol. Its IUPAC name is 2-[2-[2-methoxyethyl(methyl)amino]ethylamino]-3-methylbutanoic acid.

Molecular Properties

Compound Name2-[2-[2-methoxyethyl(methyl)amino]ethylamino]-3-methylbutanoic acid
PubChem CID103249699
Molecular FormulaC11H24N2O3
Molecular Weight232.32 g/mol
Exact Mass232.18
IUPAC Name2-[2-[2-methoxyethyl(methyl)amino]ethylamino]-3-methylbutanoic acid
SMILESCOCCN(C)CCNC(C(=O)O)C(C)C
InChIInChI=1S/C11H24N2O3/c1-9(2)10(11(14)15)12-5-6-13(3)7-8-16-4/h9-10,12H,5-8H2,1-4H3,(H,14,15)
InChIKeyRGDWEZBOFGKQFR-UHFFFAOYSA-N
XLogP0.26
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[[2-methoxyethyl(methyl)carbamoyl]amino]-3-methylbutanoic acid
CID 79010163
2-methoxy-N-[2-[2-methoxyethyl(methyl)amino]ethyl]propanamide
CID 115605846
3-[2-[2-methoxyethyl(methyl)amino]ethylamino]-2-methylpropanamide
CID 62843100
2-[2-[2-methoxyethyl(methyl)amino]ethylamino]-N-phenylpropanamide
CID 62842763
(2R)-2-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoylamino]-3,3-dimethylbutanoic acid
CID 103927982
N-(ethylcarbamoyl)-2-[2-[2-methoxyethyl(methyl)amino]ethylamino]propanamide
CID 55127056
N'-(2-methoxyethyl)-N'-methyl-N-(2-methyl-1-phenylpropyl)ethane-1,2-diamine
CID 62843081
ethyl 2-[2-[2-methoxyethyl(methyl)amino]ethylamino]pentanoate
CID 83041631
2-(2-ethoxyethylamino)-3-methylbutanoic acid
CID 43468734
4-[2-methoxyethyl(methyl)amino]-2-(methylamino)butanoic acid
CID 63055017
3-[2-[2-methoxyethyl(methyl)amino]ethylamino]butanenitrile
CID 62842933
2-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl-methylamino]butanoic acid
CID 55127012

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-methoxyethyl(methyl)amino]ethylamino]-3-methylbutanoic acid?
The IUPAC name of 2-[2-[2-methoxyethyl(methyl)amino]ethylamino]-3-methylbutanoic acid (CID 103249699) is 2-[2-[2-methoxyethyl(methyl)amino]ethylamino]-3-methylbutanoic acid.
What is the SMILES notation for 2-[2-[2-methoxyethyl(methyl)amino]ethylamino]-3-methylbutanoic acid?
The canonical SMILES for 2-[2-[2-methoxyethyl(methyl)amino]ethylamino]-3-methylbutanoic acid is COCCN(C)CCNC(C(=O)O)C(C)C.
What is the InChIKey of 2-[2-[2-methoxyethyl(methyl)amino]ethylamino]-3-methylbutanoic acid?
The InChIKey is RGDWEZBOFGKQFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O3/c1-9(2)10(11(14)15)12-5-6-13(3)7-8-16-4/h9-10,12H,5-8H2,1-4H3,(H,14,15).
What are the key properties of 2-[2-[2-methoxyethyl(methyl)amino]ethylamino]-3-methylbutanoic acid?
2-[2-[2-methoxyethyl(methyl)amino]ethylamino]-3-methylbutanoic acid has a molecular weight of 232.32 g/mol, XLogP of 0.26, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-methoxyethyl(methyl)amino]ethylamino]-3-methylbutanoic acid is sourced from PubChem (CID 103249699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).