(1-hydroxy-2-oxoazepan-3-yl)phosphonous acid

C6H12NO4P — CID 145153814

IUPAC(1-hydroxy-2-oxoazepan-3-yl)phosphonous acid
SMILESO=C1C(P(O)O)CCCCN1O
InChIInChI=1S/C6H12NO4P/c8-6-5(12(10)11)3-1-2-4-7(6)9/h5,9-11H,1-4H2
InChIKeyIUFPYXFUPMDLLB-UHFFFAOYSA-N
MW193.14 g/mol
LogP0.05
Rot. Bonds1

About (1-hydroxy-2-oxoazepan-3-yl)phosphonous acid

(1-hydroxy-2-oxoazepan-3-yl)phosphonous acid (PubChem CID 145153814) has the molecular formula C6H12NO4P and a molecular weight of 193.14 g/mol. Its IUPAC name is (1-hydroxy-2-oxoazepan-3-yl)phosphonous acid.

Molecular Properties

Compound Name(1-hydroxy-2-oxoazepan-3-yl)phosphonous acid
PubChem CID145153814
Molecular FormulaC6H12NO4P
Molecular Weight193.14 g/mol
Exact Mass193.05
IUPAC Name(1-hydroxy-2-oxoazepan-3-yl)phosphonous acid
SMILESO=C1C(P(O)O)CCCCN1O
InChIInChI=1S/C6H12NO4P/c8-6-5(12(10)11)3-1-2-4-7(6)9/h5,9-11H,1-4H2
InChIKeyIUFPYXFUPMDLLB-UHFFFAOYSA-N
XLogP0.05
TPSA81.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.14
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1-hydroxy-2-oxoazepan-3-yl)phosphonous acid?
The IUPAC name of (1-hydroxy-2-oxoazepan-3-yl)phosphonous acid (CID 145153814) is (1-hydroxy-2-oxoazepan-3-yl)phosphonous acid.
What is the SMILES notation for (1-hydroxy-2-oxoazepan-3-yl)phosphonous acid?
The canonical SMILES for (1-hydroxy-2-oxoazepan-3-yl)phosphonous acid is O=C1C(P(O)O)CCCCN1O.
What is the InChIKey of (1-hydroxy-2-oxoazepan-3-yl)phosphonous acid?
The InChIKey is IUFPYXFUPMDLLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12NO4P/c8-6-5(12(10)11)3-1-2-4-7(6)9/h5,9-11H,1-4H2.
What are the key properties of (1-hydroxy-2-oxoazepan-3-yl)phosphonous acid?
(1-hydroxy-2-oxoazepan-3-yl)phosphonous acid has a molecular weight of 193.14 g/mol, XLogP of 0.05, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hydroxy-2-oxoazepan-3-yl)phosphonous acid is sourced from PubChem (CID 145153814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).