[4-(methoxyamino)-4-oxobutyl]phosphonic acid

C5H12NO5P — CID 71458600

IUPAC[4-(methoxyamino)-4-oxobutyl]phosphonic acid
SMILESCONC(=O)CCCP(=O)(O)O
InChIInChI=1S/C5H12NO5P/c1-11-6-5(7)3-2-4-12(8,9)10/h2-4H2,1H3,(H,6,7)(H2,8,9,10)
InChIKeySWBPZYOZAXDBKK-UHFFFAOYSA-N
MW197.13 g/mol
LogP-0.38
Rot. Bonds5

About [4-(methoxyamino)-4-oxobutyl]phosphonic acid

[4-(methoxyamino)-4-oxobutyl]phosphonic acid (PubChem CID 71458600) has the molecular formula C5H12NO5P and a molecular weight of 197.13 g/mol. Its IUPAC name is [4-(methoxyamino)-4-oxobutyl]phosphonic acid.

Molecular Properties

Compound Name[4-(methoxyamino)-4-oxobutyl]phosphonic acid
PubChem CID71458600
Molecular FormulaC5H12NO5P
Molecular Weight197.13 g/mol
Exact Mass197.05
IUPAC Name[4-(methoxyamino)-4-oxobutyl]phosphonic acid
SMILESCONC(=O)CCCP(=O)(O)O
InChIInChI=1S/C5H12NO5P/c1-11-6-5(7)3-2-4-12(8,9)10/h2-4H2,1H3,(H,6,7)(H2,8,9,10)
InChIKeySWBPZYOZAXDBKK-UHFFFAOYSA-N
XLogP-0.38
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.13
LogP ≤ 5-0.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [4-(methoxyamino)-4-oxobutyl]phosphonic 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 [4-(methoxyamino)-4-oxobutyl]phosphonic acid?
The IUPAC name of [4-(methoxyamino)-4-oxobutyl]phosphonic acid (CID 71458600) is [4-(methoxyamino)-4-oxobutyl]phosphonic acid.
What is the SMILES notation for [4-(methoxyamino)-4-oxobutyl]phosphonic acid?
The canonical SMILES for [4-(methoxyamino)-4-oxobutyl]phosphonic acid is CONC(=O)CCCP(=O)(O)O.
What is the InChIKey of [4-(methoxyamino)-4-oxobutyl]phosphonic acid?
The InChIKey is SWBPZYOZAXDBKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12NO5P/c1-11-6-5(7)3-2-4-12(8,9)10/h2-4H2,1H3,(H,6,7)(H2,8,9,10).
What are the key properties of [4-(methoxyamino)-4-oxobutyl]phosphonic acid?
[4-(methoxyamino)-4-oxobutyl]phosphonic acid has a molecular weight of 197.13 g/mol, XLogP of -0.38, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methoxyamino)-4-oxobutyl]phosphonic acid is sourced from PubChem (CID 71458600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).