2-(2-hydroxyethylimino)propanoic acid

C5H9NO3 — CID 87583772

IUPAC2-(2-hydroxyethylimino)propanoic acid
SMILESC/C(=N\CCO)C(=O)O
InChIInChI=1S/C5H9NO3/c1-4(5(8)9)6-2-3-7/h7H,2-3H2,1H3,(H,8,9)/b6-4+
InChIKeyBHPUDBDKEMFRSS-GQCTYLIASA-N
MW131.13 g/mol
LogP-0.48
Rot. Bonds3

About 2-(2-hydroxyethylimino)propanoic acid

2-(2-hydroxyethylimino)propanoic acid (PubChem CID 87583772) has the molecular formula C5H9NO3 and a molecular weight of 131.13 g/mol. Its IUPAC name is 2-(2-hydroxyethylimino)propanoic acid.

Molecular Properties

Compound Name2-(2-hydroxyethylimino)propanoic acid
PubChem CID87583772
Molecular FormulaC5H9NO3
Molecular Weight131.13 g/mol
Exact Mass131.06
IUPAC Name2-(2-hydroxyethylimino)propanoic acid
SMILESC/C(=N\CCO)C(=O)O
InChIInChI=1S/C5H9NO3/c1-4(5(8)9)6-2-3-7/h7H,2-3H2,1H3,(H,8,9)/b6-4+
InChIKeyBHPUDBDKEMFRSS-GQCTYLIASA-N
XLogP-0.48
TPSA69.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.13
LogP ≤ 5-0.48
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 2-(2-hydroxyethylimino)propanoic acid?
The IUPAC name of 2-(2-hydroxyethylimino)propanoic acid (CID 87583772) is 2-(2-hydroxyethylimino)propanoic acid.
What is the SMILES notation for 2-(2-hydroxyethylimino)propanoic acid?
The canonical SMILES for 2-(2-hydroxyethylimino)propanoic acid is C/C(=N\CCO)C(=O)O.
What is the InChIKey of 2-(2-hydroxyethylimino)propanoic acid?
The InChIKey is BHPUDBDKEMFRSS-GQCTYLIASA-N. The full InChI is InChI=1S/C5H9NO3/c1-4(5(8)9)6-2-3-7/h7H,2-3H2,1H3,(H,8,9)/b6-4+.
What are the key properties of 2-(2-hydroxyethylimino)propanoic acid?
2-(2-hydroxyethylimino)propanoic acid has a molecular weight of 131.13 g/mol, XLogP of -0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethylimino)propanoic acid is sourced from PubChem (CID 87583772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).