[dimethylphosphorylmethyl(phenyl)carbamoyl]carbamic acid

C11H15N2O4P — CID 22215219

IUPAC[dimethylphosphorylmethyl(phenyl)carbamoyl]carbamic acid
SMILESCP(C)(=O)CN(C(=O)NC(=O)O)c1ccccc1
InChIInChI=1S/C11H15N2O4P/c1-18(2,17)8-13(10(14)12-11(15)16)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,12,14)(H,15,16)
InChIKeySKPSAZLQAGOHTP-UHFFFAOYSA-N
MW270.23 g/mol
LogP2.46
Rot. Bonds3

About [dimethylphosphorylmethyl(phenyl)carbamoyl]carbamic acid

[dimethylphosphorylmethyl(phenyl)carbamoyl]carbamic acid (PubChem CID 22215219) has the molecular formula C11H15N2O4P and a molecular weight of 270.23 g/mol. Its IUPAC name is [dimethylphosphorylmethyl(phenyl)carbamoyl]carbamic acid.

Molecular Properties

Compound Name[dimethylphosphorylmethyl(phenyl)carbamoyl]carbamic acid
PubChem CID22215219
Molecular FormulaC11H15N2O4P
Molecular Weight270.23 g/mol
Exact Mass270.08
IUPAC Name[dimethylphosphorylmethyl(phenyl)carbamoyl]carbamic acid
SMILESCP(C)(=O)CN(C(=O)NC(=O)O)c1ccccc1
InChIInChI=1S/C11H15N2O4P/c1-18(2,17)8-13(10(14)12-11(15)16)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,12,14)(H,15,16)
InChIKeySKPSAZLQAGOHTP-UHFFFAOYSA-N
XLogP2.46
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.23
LogP ≤ 52.46
H-Bond Donors ≤ 52
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 [dimethylphosphorylmethyl(phenyl)carbamoyl]carbamic acid?
The IUPAC name of [dimethylphosphorylmethyl(phenyl)carbamoyl]carbamic acid (CID 22215219) is [dimethylphosphorylmethyl(phenyl)carbamoyl]carbamic acid.
What is the SMILES notation for [dimethylphosphorylmethyl(phenyl)carbamoyl]carbamic acid?
The canonical SMILES for [dimethylphosphorylmethyl(phenyl)carbamoyl]carbamic acid is CP(C)(=O)CN(C(=O)NC(=O)O)c1ccccc1.
What is the InChIKey of [dimethylphosphorylmethyl(phenyl)carbamoyl]carbamic acid?
The InChIKey is SKPSAZLQAGOHTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N2O4P/c1-18(2,17)8-13(10(14)12-11(15)16)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,12,14)(H,15,16).
What are the key properties of [dimethylphosphorylmethyl(phenyl)carbamoyl]carbamic acid?
[dimethylphosphorylmethyl(phenyl)carbamoyl]carbamic acid has a molecular weight of 270.23 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [dimethylphosphorylmethyl(phenyl)carbamoyl]carbamic acid is sourced from PubChem (CID 22215219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).