hydroxymethoxy-N-propanoylphosphonamidic acid

C4H10NO5P — CID 87902749

IUPAChydroxymethoxy-N-propanoylphosphonamidic acid
SMILESCCC(=O)NP(=O)(O)OCO
InChIInChI=1S/C4H10NO5P/c1-2-4(7)5-11(8,9)10-3-6/h6H,2-3H2,1H3,(H2,5,7,8,9)
InChIKeyKZTMRRGWEOKICD-UHFFFAOYSA-N
MW183.10 g/mol
LogP-0.42
Rot. Bonds4

About hydroxymethoxy-N-propanoylphosphonamidic acid

hydroxymethoxy-N-propanoylphosphonamidic acid (PubChem CID 87902749) has the molecular formula C4H10NO5P and a molecular weight of 183.10 g/mol. Its IUPAC name is hydroxymethoxy-N-propanoylphosphonamidic acid.

Molecular Properties

Compound Namehydroxymethoxy-N-propanoylphosphonamidic acid
PubChem CID87902749
Molecular FormulaC4H10NO5P
Molecular Weight183.10 g/mol
Exact Mass183.03
IUPAC Namehydroxymethoxy-N-propanoylphosphonamidic acid
SMILESCCC(=O)NP(=O)(O)OCO
InChIInChI=1S/C4H10NO5P/c1-2-4(7)5-11(8,9)10-3-6/h6H,2-3H2,1H3,(H2,5,7,8,9)
InChIKeyKZTMRRGWEOKICD-UHFFFAOYSA-N
XLogP-0.42
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.10
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze hydroxymethoxy-N-propanoylphosphonamidic 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 hydroxymethoxy-N-propanoylphosphonamidic acid?
The IUPAC name of hydroxymethoxy-N-propanoylphosphonamidic acid (CID 87902749) is hydroxymethoxy-N-propanoylphosphonamidic acid.
What is the SMILES notation for hydroxymethoxy-N-propanoylphosphonamidic acid?
The canonical SMILES for hydroxymethoxy-N-propanoylphosphonamidic acid is CCC(=O)NP(=O)(O)OCO.
What is the InChIKey of hydroxymethoxy-N-propanoylphosphonamidic acid?
The InChIKey is KZTMRRGWEOKICD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10NO5P/c1-2-4(7)5-11(8,9)10-3-6/h6H,2-3H2,1H3,(H2,5,7,8,9).
What are the key properties of hydroxymethoxy-N-propanoylphosphonamidic acid?
hydroxymethoxy-N-propanoylphosphonamidic acid has a molecular weight of 183.10 g/mol, XLogP of -0.42, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxymethoxy-N-propanoylphosphonamidic acid is sourced from PubChem (CID 87902749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).