2-[2-(2-hydroxyethoxy)ethylamino]-2,4-dimethylpentanoic acid

C11H23NO4 — CID 115000691

IUPAC2-[2-(2-hydroxyethoxy)ethylamino]-2,4-dimethylpentanoic acid
SMILESCC(C)CC(C)(NCCOCCO)C(=O)O
InChIInChI=1S/C11H23NO4/c1-9(2)8-11(3,10(14)15)12-4-6-16-7-5-13/h9,12-13H,4-8H2,1-3H3,(H,14,15)
InChIKeyMPDVAHOFBLDBAK-UHFFFAOYSA-N
MW233.31 g/mol
LogP0.47
Rot. Bonds9

About 2-[2-(2-hydroxyethoxy)ethylamino]-2,4-dimethylpentanoic acid

2-[2-(2-hydroxyethoxy)ethylamino]-2,4-dimethylpentanoic acid (PubChem CID 115000691) has the molecular formula C11H23NO4 and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-[2-(2-hydroxyethoxy)ethylamino]-2,4-dimethylpentanoic acid.

Molecular Properties

Compound Name2-[2-(2-hydroxyethoxy)ethylamino]-2,4-dimethylpentanoic acid
PubChem CID115000691
Molecular FormulaC11H23NO4
Molecular Weight233.31 g/mol
Exact Mass233.16
IUPAC Name2-[2-(2-hydroxyethoxy)ethylamino]-2,4-dimethylpentanoic acid
SMILESCC(C)CC(C)(NCCOCCO)C(=O)O
InChIInChI=1S/C11H23NO4/c1-9(2)8-11(3,10(14)15)12-4-6-16-7-5-13/h9,12-13H,4-8H2,1-3H3,(H,14,15)
InChIKeyMPDVAHOFBLDBAK-UHFFFAOYSA-N
XLogP0.47
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-methoxyethoxy)ethylamino]-2,4-dimethylpentanoic acid
CID 114999552
2-(2-ethoxyethylamino)-2,4-dimethylpentanoic acid
CID 114989242
2,4-dimethyl-2-[2-[methyl(propan-2-yl)amino]ethylamino]pentanoic acid
CID 115002535
2,4-dimethyl-2-(2-methylpropylamino)pentanoic acid
CID 61001424
(2S)-2-(2-ethoxyethylamino)-2,4-dimethylpentanamide
CID 95636090
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
2-[2-(3-methoxypropoxy)ethylamino]-2-methylpentanoic acid
CID 103181243
2,2,3-trimethyl-3-[2-(2-methylpropoxy)ethylamino]butanoic acid
CID 106454728
[1-(2-hydroxyethoxy)-2-methylpropan-2-yl]carbamic acid
CID 87536176

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxyethoxy)ethylamino]-2,4-dimethylpentanoic acid?
The IUPAC name of 2-[2-(2-hydroxyethoxy)ethylamino]-2,4-dimethylpentanoic acid (CID 115000691) is 2-[2-(2-hydroxyethoxy)ethylamino]-2,4-dimethylpentanoic acid.
What is the SMILES notation for 2-[2-(2-hydroxyethoxy)ethylamino]-2,4-dimethylpentanoic acid?
The canonical SMILES for 2-[2-(2-hydroxyethoxy)ethylamino]-2,4-dimethylpentanoic acid is CC(C)CC(C)(NCCOCCO)C(=O)O.
What is the InChIKey of 2-[2-(2-hydroxyethoxy)ethylamino]-2,4-dimethylpentanoic acid?
The InChIKey is MPDVAHOFBLDBAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO4/c1-9(2)8-11(3,10(14)15)12-4-6-16-7-5-13/h9,12-13H,4-8H2,1-3H3,(H,14,15).
What are the key properties of 2-[2-(2-hydroxyethoxy)ethylamino]-2,4-dimethylpentanoic acid?
2-[2-(2-hydroxyethoxy)ethylamino]-2,4-dimethylpentanoic acid has a molecular weight of 233.31 g/mol, XLogP of 0.47, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxyethoxy)ethylamino]-2,4-dimethylpentanoic acid is sourced from PubChem (CID 115000691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).