acetamidomethylphosphonic acid

C3H8NO4P — CID 3017080

IUPACacetamidomethylphosphonic acid
SMILESCC(=O)NCP(=O)(O)O
InChIInChI=1S/C3H8NO4P/c1-3(5)4-2-9(6,7)8/h2H2,1H3,(H,4,5)(H2,6,7,8)
InChIKeyFDNUAHPLMXZWLS-UHFFFAOYSA-N
MW153.07 g/mol
LogP-0.74
Rot. Bonds2

About acetamidomethylphosphonic acid

acetamidomethylphosphonic acid (PubChem CID 3017080) has the molecular formula C3H8NO4P and a molecular weight of 153.07 g/mol. Its IUPAC name is acetamidomethylphosphonic acid.

Molecular Properties

Compound Nameacetamidomethylphosphonic acid
PubChem CID3017080
Molecular FormulaC3H8NO4P
Molecular Weight153.07 g/mol
Exact Mass153.02
IUPAC Nameacetamidomethylphosphonic acid
SMILESCC(=O)NCP(=O)(O)O
InChIInChI=1S/C3H8NO4P/c1-3(5)4-2-9(6,7)8/h2H2,1H3,(H,4,5)(H2,6,7,8)
InChIKeyFDNUAHPLMXZWLS-UHFFFAOYSA-N
XLogP-0.74
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.07
LogP ≤ 5-0.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of acetamidomethylphosphonic acid?
The IUPAC name of acetamidomethylphosphonic acid (CID 3017080) is acetamidomethylphosphonic acid.
What is the SMILES notation for acetamidomethylphosphonic acid?
The canonical SMILES for acetamidomethylphosphonic acid is CC(=O)NCP(=O)(O)O.
What is the InChIKey of acetamidomethylphosphonic acid?
The InChIKey is FDNUAHPLMXZWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8NO4P/c1-3(5)4-2-9(6,7)8/h2H2,1H3,(H,4,5)(H2,6,7,8).
What are the key properties of acetamidomethylphosphonic acid?
acetamidomethylphosphonic acid has a molecular weight of 153.07 g/mol, XLogP of -0.74, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetamidomethylphosphonic acid is sourced from PubChem (CID 3017080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).