3-[acetyl(hydroxy)amino]propyl-methoxyphosphinic acid

C6H14NO5P — CID 140747508

IUPAC3-[acetyl(hydroxy)amino]propyl-methoxyphosphinic acid
SMILESCOP(=O)(O)CCCN(O)C(C)=O
InChIInChI=1S/C6H14NO5P/c1-6(8)7(9)4-3-5-13(10,11)12-2/h9H,3-5H2,1-2H3,(H,10,11)
InChIKeyUXXBCRXCDJNPGL-UHFFFAOYSA-N
MW211.15 g/mol
LogP0.45
Rot. Bonds5

About 3-[acetyl(hydroxy)amino]propyl-methoxyphosphinic acid

3-[acetyl(hydroxy)amino]propyl-methoxyphosphinic acid (PubChem CID 140747508) has the molecular formula C6H14NO5P and a molecular weight of 211.15 g/mol. Its IUPAC name is 3-[acetyl(hydroxy)amino]propyl-methoxyphosphinic acid.

Molecular Properties

Compound Name3-[acetyl(hydroxy)amino]propyl-methoxyphosphinic acid
PubChem CID140747508
Molecular FormulaC6H14NO5P
Molecular Weight211.15 g/mol
Exact Mass211.06
IUPAC Name3-[acetyl(hydroxy)amino]propyl-methoxyphosphinic acid
SMILESCOP(=O)(O)CCCN(O)C(C)=O
InChIInChI=1S/C6H14NO5P/c1-6(8)7(9)4-3-5-13(10,11)12-2/h9H,3-5H2,1-2H3,(H,10,11)
InChIKeyUXXBCRXCDJNPGL-UHFFFAOYSA-N
XLogP0.45
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.15
LogP ≤ 50.45
H-Bond Donors ≤ 52
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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Related Compounds

3-[acetyl(hydroxy)amino]propylazanium
CID 25201397
decyl(methoxy)phosphinic acid
CID 54568982
methoxy-[3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propyl]phosphinic acid
CID 161196889
N-heptyl-N-hydroxyacetamide
CID 71399613
methoxy-[5-(propylamino)pentyl]phosphinic acid
CID 155661203
2-amino-5-[hydroxy(methoxy)phosphoryl]pentanoic acid
CID 118218579
[hydroxy(methoxy)phosphoryl]methyl-methylphosphinic acid
CID 20709857
4-(heptylamino)butyl-methoxyphosphinic acid
CID 155661218
methoxy(3-prop-2-enoyloxypropyl)phosphinic acid
CID 154634835
sodium 3-[acetyl(hydroxy)amino]propane-1-sulfonate
CID 56677107
methoxy(methoxymethyl)phosphinic acid
CID 54547216
1-N,2-N,3-N-tris[3-[acetyl(hydroxy)amino]propyl]propane-1,2,3-tricarboxamide
CID 13417378

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(hydroxy)amino]propyl-methoxyphosphinic acid?
The IUPAC name of 3-[acetyl(hydroxy)amino]propyl-methoxyphosphinic acid (CID 140747508) is 3-[acetyl(hydroxy)amino]propyl-methoxyphosphinic acid.
What is the SMILES notation for 3-[acetyl(hydroxy)amino]propyl-methoxyphosphinic acid?
The canonical SMILES for 3-[acetyl(hydroxy)amino]propyl-methoxyphosphinic acid is COP(=O)(O)CCCN(O)C(C)=O.
What is the InChIKey of 3-[acetyl(hydroxy)amino]propyl-methoxyphosphinic acid?
The InChIKey is UXXBCRXCDJNPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14NO5P/c1-6(8)7(9)4-3-5-13(10,11)12-2/h9H,3-5H2,1-2H3,(H,10,11).
What are the key properties of 3-[acetyl(hydroxy)amino]propyl-methoxyphosphinic acid?
3-[acetyl(hydroxy)amino]propyl-methoxyphosphinic acid has a molecular weight of 211.15 g/mol, XLogP of 0.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(hydroxy)amino]propyl-methoxyphosphinic acid is sourced from PubChem (CID 140747508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).