2-(2-ethoxyethylamino)-3-methylbutanoic acid

C9H19NO3 — CID 43468734

IUPAC2-(2-ethoxyethylamino)-3-methylbutanoic acid
SMILESCCOCCNC(C(=O)O)C(C)C
InChIInChI=1S/C9H19NO3/c1-4-13-6-5-10-8(7(2)3)9(11)12/h7-8,10H,4-6H2,1-3H3,(H,11,12)
InChIKeyYLCUMHRVNUOXAN-UHFFFAOYSA-N
MW189.25 g/mol
LogP0.72
Rot. Bonds7

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

2-(2-ethoxyethylamino)-3-methylbutanoic acid (PubChem CID 43468734) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is 2-(2-ethoxyethylamino)-3-methylbutanoic acid.

Molecular Properties

Compound Name2-(2-ethoxyethylamino)-3-methylbutanoic acid
PubChem CID43468734
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Name2-(2-ethoxyethylamino)-3-methylbutanoic acid
SMILESCCOCCNC(C(=O)O)C(C)C
InChIInChI=1S/C9H19NO3/c1-4-13-6-5-10-8(7(2)3)9(11)12/h7-8,10H,4-6H2,1-3H3,(H,11,12)
InChIKeyYLCUMHRVNUOXAN-UHFFFAOYSA-N
XLogP0.72
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-ethoxyethylamino)butanoic acid
CID 64668941
ethyl (2S)-2-(2-ethoxyethylamino)propanoate
CID 88726187
2-(2-ethoxyethylsulfonylamino)-3-methylbutanoic acid
CID 63245503
(2S)-2-(2-aminoethylamino)-3-methylbutanoic acid
CID 45082351
2-(2-ethoxyethylamino)-N-pentan-3-ylpropanamide
CID 43591061
3-methyl-2-(3-oxopropylamino)butanoic acid
CID 59132005
(2S)-2-(2-ethoxyethylamino)-3-methylbutan-1-ol
CID 79250143
3-(2-ethoxyethylamino)-2-methylpropanoic acid;hydrochloride
CID 47003074
methyl 3-(2-ethoxyethylamino)butanoate
CID 43590969
N-[2-(2-ethoxyethoxy)ethyl]butan-2-amine
CID 62565963
(2S,3S)-3-methyl-2-(propylamino)pentanoic acid
CID 140981705
3-methyl-2-(2-propoxyethylcarbamoylamino)butanoic acid
CID 106450974

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethylamino)-3-methylbutanoic acid?
The IUPAC name of 2-(2-ethoxyethylamino)-3-methylbutanoic acid (CID 43468734) is 2-(2-ethoxyethylamino)-3-methylbutanoic acid.
What is the SMILES notation for 2-(2-ethoxyethylamino)-3-methylbutanoic acid?
The canonical SMILES for 2-(2-ethoxyethylamino)-3-methylbutanoic acid is CCOCCNC(C(=O)O)C(C)C.
What is the InChIKey of 2-(2-ethoxyethylamino)-3-methylbutanoic acid?
The InChIKey is YLCUMHRVNUOXAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3/c1-4-13-6-5-10-8(7(2)3)9(11)12/h7-8,10H,4-6H2,1-3H3,(H,11,12).
What are the key properties of 2-(2-ethoxyethylamino)-3-methylbutanoic acid?
2-(2-ethoxyethylamino)-3-methylbutanoic acid has a molecular weight of 189.25 g/mol, XLogP of 0.72, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethylamino)-3-methylbutanoic acid is sourced from PubChem (CID 43468734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).