2-(ethylamino)-4-[methyl(2-propan-2-yloxyethyl)amino]butanoic acid

C12H26N2O3 — CID 81062128

IUPAC2-(ethylamino)-4-[methyl(2-propan-2-yloxyethyl)amino]butanoic acid
SMILESCCNC(CCN(C)CCOC(C)C)C(=O)O
InChIInChI=1S/C12H26N2O3/c1-5-13-11(12(15)16)6-7-14(4)8-9-17-10(2)3/h10-11,13H,5-9H2,1-4H3,(H,15,16)
InChIKeyIDEVTRZYGYXECC-UHFFFAOYSA-N
MW246.35 g/mol
LogP0.80
Rot. Bonds10

About 2-(ethylamino)-4-[methyl(2-propan-2-yloxyethyl)amino]butanoic acid

2-(ethylamino)-4-[methyl(2-propan-2-yloxyethyl)amino]butanoic acid (PubChem CID 81062128) has the molecular formula C12H26N2O3 and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-(ethylamino)-4-[methyl(2-propan-2-yloxyethyl)amino]butanoic acid.

Molecular Properties

Compound Name2-(ethylamino)-4-[methyl(2-propan-2-yloxyethyl)amino]butanoic acid
PubChem CID81062128
Molecular FormulaC12H26N2O3
Molecular Weight246.35 g/mol
Exact Mass246.19
IUPAC Name2-(ethylamino)-4-[methyl(2-propan-2-yloxyethyl)amino]butanoic acid
SMILESCCNC(CCN(C)CCOC(C)C)C(=O)O
InChIInChI=1S/C12H26N2O3/c1-5-13-11(12(15)16)6-7-14(4)8-9-17-10(2)3/h10-11,13H,5-9H2,1-4H3,(H,15,16)
InChIKeyIDEVTRZYGYXECC-UHFFFAOYSA-N
XLogP0.80
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[methyl(2-propan-2-yloxyethyl)amino]-2-(propylamino)butanoic acid
CID 81074467
2-(ethylamino)-4-[methyl(2-propan-2-yloxyethyl)amino]butan-1-ol
CID 81063410
4-[2-ethoxyethyl(methyl)amino]-2-(propan-2-ylamino)butanoic acid
CID 81061462
3-[methyl(2-propan-2-yloxyethyl)amino]-2-(propan-2-ylamino)propanoic acid
CID 81061472
4-[cyclopropyl(2-methoxyethyl)amino]-2-(ethylamino)butanoic acid
CID 55145476
4-[methyl(propyl)amino]-2-(propan-2-ylamino)butanoic acid
CID 63028232
2-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]pentanoic acid
CID 81058135
4-[2-methoxyethyl(methyl)amino]-2-(methylamino)butanoic acid
CID 63055017
2-(ethylamino)-4-pentan-2-yloxybutanoic acid
CID 102984247
2-(cyclopropylamino)-3-[methyl(2-propan-2-yloxyethyl)amino]propanoic acid
CID 81062213
3-ethyl-1-methyl-1-(2-propan-2-yloxyethyl)urea
CID 115698202
2-N-ethyl-1-N-methyl-1-N-(2-propan-2-yloxyethyl)pentane-1,2-diamine
CID 81056584

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-4-[methyl(2-propan-2-yloxyethyl)amino]butanoic acid?
The IUPAC name of 2-(ethylamino)-4-[methyl(2-propan-2-yloxyethyl)amino]butanoic acid (CID 81062128) is 2-(ethylamino)-4-[methyl(2-propan-2-yloxyethyl)amino]butanoic acid.
What is the SMILES notation for 2-(ethylamino)-4-[methyl(2-propan-2-yloxyethyl)amino]butanoic acid?
The canonical SMILES for 2-(ethylamino)-4-[methyl(2-propan-2-yloxyethyl)amino]butanoic acid is CCNC(CCN(C)CCOC(C)C)C(=O)O.
What is the InChIKey of 2-(ethylamino)-4-[methyl(2-propan-2-yloxyethyl)amino]butanoic acid?
The InChIKey is IDEVTRZYGYXECC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3/c1-5-13-11(12(15)16)6-7-14(4)8-9-17-10(2)3/h10-11,13H,5-9H2,1-4H3,(H,15,16).
What are the key properties of 2-(ethylamino)-4-[methyl(2-propan-2-yloxyethyl)amino]butanoic acid?
2-(ethylamino)-4-[methyl(2-propan-2-yloxyethyl)amino]butanoic acid has a molecular weight of 246.35 g/mol, XLogP of 0.80, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-4-[methyl(2-propan-2-yloxyethyl)amino]butanoic acid is sourced from PubChem (CID 81062128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).