2-(2-ethoxyethylamino)-2,4-dimethylpentanoic acid

C11H23NO3 — CID 114989242

IUPAC2-(2-ethoxyethylamino)-2,4-dimethylpentanoic acid
SMILESCCOCCNC(C)(CC(C)C)C(=O)O
InChIInChI=1S/C11H23NO3/c1-5-15-7-6-12-11(4,10(13)14)8-9(2)3/h9,12H,5-8H2,1-4H3,(H,13,14)
InChIKeyBERAHNLGWAMDAH-UHFFFAOYSA-N
MW217.31 g/mol
LogP1.50
Rot. Bonds8

About 2-(2-ethoxyethylamino)-2,4-dimethylpentanoic acid

2-(2-ethoxyethylamino)-2,4-dimethylpentanoic acid (PubChem CID 114989242) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is 2-(2-ethoxyethylamino)-2,4-dimethylpentanoic acid.

Molecular Properties

Compound Name2-(2-ethoxyethylamino)-2,4-dimethylpentanoic acid
PubChem CID114989242
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Name2-(2-ethoxyethylamino)-2,4-dimethylpentanoic acid
SMILESCCOCCNC(C)(CC(C)C)C(=O)O
InChIInChI=1S/C11H23NO3/c1-5-15-7-6-12-11(4,10(13)14)8-9(2)3/h9,12H,5-8H2,1-4H3,(H,13,14)
InChIKeyBERAHNLGWAMDAH-UHFFFAOYSA-N
XLogP1.50
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 51.50
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

(2S)-2-(2-ethoxyethylamino)-2,4-dimethylpentanamide
CID 95636090
2-[2-(2-methoxyethoxy)ethylamino]-2,4-dimethylpentanoic acid
CID 114999552
2-[2-(2-hydroxyethoxy)ethylamino]-2,4-dimethylpentanoic acid
CID 115000691
2,4-dimethyl-2-[2-[methyl(propan-2-yl)amino]ethylamino]pentanoic acid
CID 115002535
2-[2-(dimethylamino)ethylamino]-2,4-dimethylpentanoic acid
CID 61001781
2,4-dimethyl-2-(2-methylpropylamino)pentanoic acid
CID 61001424
2-[2-(2-methoxyethoxy)ethylamino]-2-methylbutanoic acid
CID 78977075
2-methyl-4-(2-propoxyethoxy)-2-(propylamino)pentanoic acid
CID 64720042
2,4-dimethyl-2-(prop-2-enylamino)pentanoic acid
CID 61341230
2-[2-(3-methoxypropoxy)ethylamino]-2-methylbutanoic acid
CID 103181366
(2R)-2-acetamido-2,4-dimethylpentanoic acid
CID 22858890
2-(2-ethoxyethylamino)-3-methylbutanoic acid
CID 43468734

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethylamino)-2,4-dimethylpentanoic acid?
The IUPAC name of 2-(2-ethoxyethylamino)-2,4-dimethylpentanoic acid (CID 114989242) is 2-(2-ethoxyethylamino)-2,4-dimethylpentanoic acid.
What is the SMILES notation for 2-(2-ethoxyethylamino)-2,4-dimethylpentanoic acid?
The canonical SMILES for 2-(2-ethoxyethylamino)-2,4-dimethylpentanoic acid is CCOCCNC(C)(CC(C)C)C(=O)O.
What is the InChIKey of 2-(2-ethoxyethylamino)-2,4-dimethylpentanoic acid?
The InChIKey is BERAHNLGWAMDAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-5-15-7-6-12-11(4,10(13)14)8-9(2)3/h9,12H,5-8H2,1-4H3,(H,13,14).
What are the key properties of 2-(2-ethoxyethylamino)-2,4-dimethylpentanoic acid?
2-(2-ethoxyethylamino)-2,4-dimethylpentanoic acid has a molecular weight of 217.31 g/mol, XLogP of 1.50, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethylamino)-2,4-dimethylpentanoic acid is sourced from PubChem (CID 114989242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).