3-(2-hydroxyethylimino)-2-methylpropanoic acid

C6H11NO3 — CID 56628416

IUPAC3-(2-hydroxyethylimino)-2-methylpropanoic acid
SMILESCC(/C=N/CCO)C(=O)O
InChIInChI=1S/C6H11NO3/c1-5(6(9)10)4-7-2-3-8/h4-5,8H,2-3H2,1H3,(H,9,10)/b7-4+
InChIKeyLJNJHLJVFSIAOM-QPJJXVBHSA-N
MW145.16 g/mol
LogP-0.23
Rot. Bonds4

About 3-(2-hydroxyethylimino)-2-methylpropanoic acid

3-(2-hydroxyethylimino)-2-methylpropanoic acid (PubChem CID 56628416) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is 3-(2-hydroxyethylimino)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(2-hydroxyethylimino)-2-methylpropanoic acid
PubChem CID56628416
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Name3-(2-hydroxyethylimino)-2-methylpropanoic acid
SMILESCC(/C=N/CCO)C(=O)O
InChIInChI=1S/C6H11NO3/c1-5(6(9)10)4-7-2-3-8/h4-5,8H,2-3H2,1H3,(H,9,10)/b7-4+
InChIKeyLJNJHLJVFSIAOM-QPJJXVBHSA-N
XLogP-0.23
TPSA69.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethylimino)-2-methylpropanoic acid?
The IUPAC name of 3-(2-hydroxyethylimino)-2-methylpropanoic acid (CID 56628416) is 3-(2-hydroxyethylimino)-2-methylpropanoic acid.
What is the SMILES notation for 3-(2-hydroxyethylimino)-2-methylpropanoic acid?
The canonical SMILES for 3-(2-hydroxyethylimino)-2-methylpropanoic acid is CC(/C=N/CCO)C(=O)O.
What is the InChIKey of 3-(2-hydroxyethylimino)-2-methylpropanoic acid?
The InChIKey is LJNJHLJVFSIAOM-QPJJXVBHSA-N. The full InChI is InChI=1S/C6H11NO3/c1-5(6(9)10)4-7-2-3-8/h4-5,8H,2-3H2,1H3,(H,9,10)/b7-4+.
What are the key properties of 3-(2-hydroxyethylimino)-2-methylpropanoic acid?
3-(2-hydroxyethylimino)-2-methylpropanoic acid has a molecular weight of 145.16 g/mol, XLogP of -0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethylimino)-2-methylpropanoic acid is sourced from PubChem (CID 56628416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).