3-(1-hydroxyiminopropan-2-ylideneamino)oxypropanoic acid

C6H10N2O4 — CID 173206691

IUPAC3-(1-hydroxyiminopropan-2-ylideneamino)oxypropanoic acid
SMILESCC(C=NO)=NOCCC(=O)O
InChIInChI=1S/C6H10N2O4/c1-5(4-7-11)8-12-3-2-6(9)10/h4,11H,2-3H2,1H3,(H,9,10)
InChIKeyUUWJGPHHSXRZCS-UHFFFAOYSA-N
MW174.16 g/mol
LogP0.31
Rot. Bonds5

About 3-(1-hydroxyiminopropan-2-ylideneamino)oxypropanoic acid

3-(1-hydroxyiminopropan-2-ylideneamino)oxypropanoic acid (PubChem CID 173206691) has the molecular formula C6H10N2O4 and a molecular weight of 174.16 g/mol. Its IUPAC name is 3-(1-hydroxyiminopropan-2-ylideneamino)oxypropanoic acid.

Molecular Properties

Compound Name3-(1-hydroxyiminopropan-2-ylideneamino)oxypropanoic acid
PubChem CID173206691
Molecular FormulaC6H10N2O4
Molecular Weight174.16 g/mol
Exact Mass174.06
IUPAC Name3-(1-hydroxyiminopropan-2-ylideneamino)oxypropanoic acid
SMILESCC(C=NO)=NOCCC(=O)O
InChIInChI=1S/C6H10N2O4/c1-5(4-7-11)8-12-3-2-6(9)10/h4,11H,2-3H2,1H3,(H,9,10)
InChIKeyUUWJGPHHSXRZCS-UHFFFAOYSA-N
XLogP0.31
TPSA91.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.16
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(1-hydroxyiminopropan-2-ylideneamino)oxypropanoic acid?
The IUPAC name of 3-(1-hydroxyiminopropan-2-ylideneamino)oxypropanoic acid (CID 173206691) is 3-(1-hydroxyiminopropan-2-ylideneamino)oxypropanoic acid.
What is the SMILES notation for 3-(1-hydroxyiminopropan-2-ylideneamino)oxypropanoic acid?
The canonical SMILES for 3-(1-hydroxyiminopropan-2-ylideneamino)oxypropanoic acid is CC(C=NO)=NOCCC(=O)O.
What is the InChIKey of 3-(1-hydroxyiminopropan-2-ylideneamino)oxypropanoic acid?
The InChIKey is UUWJGPHHSXRZCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O4/c1-5(4-7-11)8-12-3-2-6(9)10/h4,11H,2-3H2,1H3,(H,9,10).
What are the key properties of 3-(1-hydroxyiminopropan-2-ylideneamino)oxypropanoic acid?
3-(1-hydroxyiminopropan-2-ylideneamino)oxypropanoic acid has a molecular weight of 174.16 g/mol, XLogP of 0.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-hydroxyiminopropan-2-ylideneamino)oxypropanoic acid is sourced from PubChem (CID 173206691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).