[acetamidomethyl(hydroxy)phosphoryl]methylphosphonic acid

C4H11NO6P2 — CID 162658244

IUPAC[acetamidomethyl(hydroxy)phosphoryl]methylphosphonic acid
SMILESCC(=O)NCP(=O)(O)CP(=O)(O)O
InChIInChI=1S/C4H11NO6P2/c1-4(6)5-2-12(7,8)3-13(9,10)11/h2-3H2,1H3,(H,5,6)(H,7,8)(H2,9,10,11)
InChIKeyCQKMLWWUVPEBQC-UHFFFAOYSA-N
MW231.08 g/mol
LogP-0.51
Rot. Bonds4

About [acetamidomethyl(hydroxy)phosphoryl]methylphosphonic acid

[acetamidomethyl(hydroxy)phosphoryl]methylphosphonic acid (PubChem CID 162658244) has the molecular formula C4H11NO6P2 and a molecular weight of 231.08 g/mol. Its IUPAC name is [acetamidomethyl(hydroxy)phosphoryl]methylphosphonic acid.

Molecular Properties

Compound Name[acetamidomethyl(hydroxy)phosphoryl]methylphosphonic acid
PubChem CID162658244
Molecular FormulaC4H11NO6P2
Molecular Weight231.08 g/mol
Exact Mass231.01
IUPAC Name[acetamidomethyl(hydroxy)phosphoryl]methylphosphonic acid
SMILESCC(=O)NCP(=O)(O)CP(=O)(O)O
InChIInChI=1S/C4H11NO6P2/c1-4(6)5-2-12(7,8)3-13(9,10)11/h2-3H2,1H3,(H,5,6)(H,7,8)(H2,9,10,11)
InChIKeyCQKMLWWUVPEBQC-UHFFFAOYSA-N
XLogP-0.51
TPSA123.93 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.08
LogP ≤ 5-0.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [acetamidomethyl(hydroxy)phosphoryl]methylphosphonic acid?
The IUPAC name of [acetamidomethyl(hydroxy)phosphoryl]methylphosphonic acid (CID 162658244) is [acetamidomethyl(hydroxy)phosphoryl]methylphosphonic acid.
What is the SMILES notation for [acetamidomethyl(hydroxy)phosphoryl]methylphosphonic acid?
The canonical SMILES for [acetamidomethyl(hydroxy)phosphoryl]methylphosphonic acid is CC(=O)NCP(=O)(O)CP(=O)(O)O.
What is the InChIKey of [acetamidomethyl(hydroxy)phosphoryl]methylphosphonic acid?
The InChIKey is CQKMLWWUVPEBQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO6P2/c1-4(6)5-2-12(7,8)3-13(9,10)11/h2-3H2,1H3,(H,5,6)(H,7,8)(H2,9,10,11).
What are the key properties of [acetamidomethyl(hydroxy)phosphoryl]methylphosphonic acid?
[acetamidomethyl(hydroxy)phosphoryl]methylphosphonic acid has a molecular weight of 231.08 g/mol, XLogP of -0.51, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [acetamidomethyl(hydroxy)phosphoryl]methylphosphonic acid is sourced from PubChem (CID 162658244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).