[2-(hydroxyamino)-2-oxoethyl]-propoxyphosphinic acid

C5H12NO5P — CID 175356502

IUPAC[2-(hydroxyamino)-2-oxoethyl]-propoxyphosphinic acid
SMILESCCCOP(=O)(O)CC(=O)NO
InChIInChI=1S/C5H12NO5P/c1-2-3-11-12(9,10)4-5(7)6-8/h8H,2-4H2,1H3,(H,6,7)(H,9,10)
InChIKeyCVTLXMLPQHPIGM-UHFFFAOYSA-N
MW197.13 g/mol
LogP0.10
Rot. Bonds5

About [2-(hydroxyamino)-2-oxoethyl]-propoxyphosphinic acid

[2-(hydroxyamino)-2-oxoethyl]-propoxyphosphinic acid (PubChem CID 175356502) has the molecular formula C5H12NO5P and a molecular weight of 197.13 g/mol. Its IUPAC name is [2-(hydroxyamino)-2-oxoethyl]-propoxyphosphinic acid.

Molecular Properties

Compound Name[2-(hydroxyamino)-2-oxoethyl]-propoxyphosphinic acid
PubChem CID175356502
Molecular FormulaC5H12NO5P
Molecular Weight197.13 g/mol
Exact Mass197.05
IUPAC Name[2-(hydroxyamino)-2-oxoethyl]-propoxyphosphinic acid
SMILESCCCOP(=O)(O)CC(=O)NO
InChIInChI=1S/C5H12NO5P/c1-2-3-11-12(9,10)4-5(7)6-8/h8H,2-4H2,1H3,(H,6,7)(H,9,10)
InChIKeyCVTLXMLPQHPIGM-UHFFFAOYSA-N
XLogP0.10
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.13
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(hydroxyamino)-2-oxoethyl]-propoxyphosphinic acid?
The IUPAC name of [2-(hydroxyamino)-2-oxoethyl]-propoxyphosphinic acid (CID 175356502) is [2-(hydroxyamino)-2-oxoethyl]-propoxyphosphinic acid.
What is the SMILES notation for [2-(hydroxyamino)-2-oxoethyl]-propoxyphosphinic acid?
The canonical SMILES for [2-(hydroxyamino)-2-oxoethyl]-propoxyphosphinic acid is CCCOP(=O)(O)CC(=O)NO.
What is the InChIKey of [2-(hydroxyamino)-2-oxoethyl]-propoxyphosphinic acid?
The InChIKey is CVTLXMLPQHPIGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12NO5P/c1-2-3-11-12(9,10)4-5(7)6-8/h8H,2-4H2,1H3,(H,6,7)(H,9,10).
What are the key properties of [2-(hydroxyamino)-2-oxoethyl]-propoxyphosphinic acid?
[2-(hydroxyamino)-2-oxoethyl]-propoxyphosphinic acid has a molecular weight of 197.13 g/mol, XLogP of 0.10, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxyamino)-2-oxoethyl]-propoxyphosphinic acid is sourced from PubChem (CID 175356502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).