phenylmethoxycarbonylaminomethylphosphonic acid

C9H12NO5P — CID 1950

IUPACphenylmethoxycarbonylaminomethylphosphonic acid
SMILESO=C(NCP(=O)(O)O)OCc1ccccc1
InChIInChI=1S/C9H12NO5P/c11-9(10-7-16(12,13)14)15-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11)(H2,12,13,14)
InChIKeyWUNKRZNFNIYEPN-UHFFFAOYSA-N
MW245.17 g/mol
LogP1.05
Rot. Bonds4

About phenylmethoxycarbonylaminomethylphosphonic acid

phenylmethoxycarbonylaminomethylphosphonic acid (PubChem CID 1950) has the molecular formula C9H12NO5P and a molecular weight of 245.17 g/mol. Its IUPAC name is phenylmethoxycarbonylaminomethylphosphonic acid.

Molecular Properties

Compound Namephenylmethoxycarbonylaminomethylphosphonic acid
PubChem CID1950
Molecular FormulaC9H12NO5P
Molecular Weight245.17 g/mol
Exact Mass245.05
IUPAC Namephenylmethoxycarbonylaminomethylphosphonic acid
SMILESO=C(NCP(=O)(O)O)OCc1ccccc1
InChIInChI=1S/C9H12NO5P/c11-9(10-7-16(12,13)14)15-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11)(H2,12,13,14)
InChIKeyWUNKRZNFNIYEPN-UHFFFAOYSA-N
XLogP1.05
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.17
LogP ≤ 51.05
H-Bond Donors ≤ 53
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 phenylmethoxycarbonylaminomethylphosphonic acid?
The IUPAC name of phenylmethoxycarbonylaminomethylphosphonic acid (CID 1950) is phenylmethoxycarbonylaminomethylphosphonic acid.
What is the SMILES notation for phenylmethoxycarbonylaminomethylphosphonic acid?
The canonical SMILES for phenylmethoxycarbonylaminomethylphosphonic acid is O=C(NCP(=O)(O)O)OCc1ccccc1.
What is the InChIKey of phenylmethoxycarbonylaminomethylphosphonic acid?
The InChIKey is WUNKRZNFNIYEPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12NO5P/c11-9(10-7-16(12,13)14)15-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11)(H2,12,13,14).
What are the key properties of phenylmethoxycarbonylaminomethylphosphonic acid?
phenylmethoxycarbonylaminomethylphosphonic acid has a molecular weight of 245.17 g/mol, XLogP of 1.05, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenylmethoxycarbonylaminomethylphosphonic acid is sourced from PubChem (CID 1950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).