2-(3-hydroxybutylideneamino)acetic acid

C6H11NO3 — CID 18690772

IUPAC2-(3-hydroxybutylideneamino)acetic acid
SMILESCC(O)C/C=N/CC(=O)O
InChIInChI=1S/C6H11NO3/c1-5(8)2-3-7-4-6(9)10/h3,5,8H,2,4H2,1H3,(H,9,10)/b7-3+
InChIKeyXJQZBFZSJYPXCS-XVNBXDOJSA-N
MW145.16 g/mol
LogP-0.09
Rot. Bonds4

About 2-(3-hydroxybutylideneamino)acetic acid

2-(3-hydroxybutylideneamino)acetic acid (PubChem CID 18690772) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is 2-(3-hydroxybutylideneamino)acetic acid.

Molecular Properties

Compound Name2-(3-hydroxybutylideneamino)acetic acid
PubChem CID18690772
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Name2-(3-hydroxybutylideneamino)acetic acid
SMILESCC(O)C/C=N/CC(=O)O
InChIInChI=1S/C6H11NO3/c1-5(8)2-3-7-4-6(9)10/h3,5,8H,2,4H2,1H3,(H,9,10)/b7-3+
InChIKeyXJQZBFZSJYPXCS-XVNBXDOJSA-N
XLogP-0.09
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 ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(3-hydroxybutylideneamino)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxybutylideneamino)acetic acid?
The IUPAC name of 2-(3-hydroxybutylideneamino)acetic acid (CID 18690772) is 2-(3-hydroxybutylideneamino)acetic acid.
What is the SMILES notation for 2-(3-hydroxybutylideneamino)acetic acid?
The canonical SMILES for 2-(3-hydroxybutylideneamino)acetic acid is CC(O)C/C=N/CC(=O)O.
What is the InChIKey of 2-(3-hydroxybutylideneamino)acetic acid?
The InChIKey is XJQZBFZSJYPXCS-XVNBXDOJSA-N. The full InChI is InChI=1S/C6H11NO3/c1-5(8)2-3-7-4-6(9)10/h3,5,8H,2,4H2,1H3,(H,9,10)/b7-3+.
What are the key properties of 2-(3-hydroxybutylideneamino)acetic acid?
2-(3-hydroxybutylideneamino)acetic acid has a molecular weight of 145.16 g/mol, XLogP of -0.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxybutylideneamino)acetic acid is sourced from PubChem (CID 18690772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).