(N-carbamoylanilino)oxy-ethylphosphinic acid

C9H13N2O4P — CID 90007837

IUPAC(N-carbamoylanilino)oxy-ethylphosphinic acid
SMILESCCP(=O)(O)ON(C(N)=O)c1ccccc1
InChIInChI=1S/C9H13N2O4P/c1-2-16(13,14)15-11(9(10)12)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H2,10,12)(H,13,14)
InChIKeyVELLNTCGIMAAKL-UHFFFAOYSA-N
MW244.19 g/mol
LogP1.71
Rot. Bonds4

About (N-carbamoylanilino)oxy-ethylphosphinic acid

(N-carbamoylanilino)oxy-ethylphosphinic acid (PubChem CID 90007837) has the molecular formula C9H13N2O4P and a molecular weight of 244.19 g/mol. Its IUPAC name is (N-carbamoylanilino)oxy-ethylphosphinic acid.

Molecular Properties

Compound Name(N-carbamoylanilino)oxy-ethylphosphinic acid
PubChem CID90007837
Molecular FormulaC9H13N2O4P
Molecular Weight244.19 g/mol
Exact Mass244.06
IUPAC Name(N-carbamoylanilino)oxy-ethylphosphinic acid
SMILESCCP(=O)(O)ON(C(N)=O)c1ccccc1
InChIInChI=1S/C9H13N2O4P/c1-2-16(13,14)15-11(9(10)12)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H2,10,12)(H,13,14)
InChIKeyVELLNTCGIMAAKL-UHFFFAOYSA-N
XLogP1.71
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.19
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-1-phenylurea
CID 15620442
butane;1,1-diphenylurea
CID 70397101
1-phenyl-1-(1-phenylpropan-2-yloxy)urea
CID 88763231
1,1-diphenylurea
CID 174849888
3-ethoxy-1,1-diphenylurea
CID 162373128
N-phenylpropanehydrazide
CID 18522904
ethyl (Z)-3-hydroxy-2-(N-phenylanilino)but-2-enoate
CID 54687376
N,N-diphenylhydroxylamine;phosphoric acid
CID 175346911
1,3-dimethoxy-1,3-diphenylurea
CID 141165239
benzyl N-ethoxy-N-phenylcarbamate
CID 175623586
1-phenyl-1-piperidin-4-yloxyurea
CID 87468836
1-[4-(2-oxoethyl)phenyl]-1-phenylurea
CID 91426853

Frequently Asked Questions

What is the IUPAC name of (N-carbamoylanilino)oxy-ethylphosphinic acid?
The IUPAC name of (N-carbamoylanilino)oxy-ethylphosphinic acid (CID 90007837) is (N-carbamoylanilino)oxy-ethylphosphinic acid.
What is the SMILES notation for (N-carbamoylanilino)oxy-ethylphosphinic acid?
The canonical SMILES for (N-carbamoylanilino)oxy-ethylphosphinic acid is CCP(=O)(O)ON(C(N)=O)c1ccccc1.
What is the InChIKey of (N-carbamoylanilino)oxy-ethylphosphinic acid?
The InChIKey is VELLNTCGIMAAKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N2O4P/c1-2-16(13,14)15-11(9(10)12)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H2,10,12)(H,13,14).
What are the key properties of (N-carbamoylanilino)oxy-ethylphosphinic acid?
(N-carbamoylanilino)oxy-ethylphosphinic acid has a molecular weight of 244.19 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (N-carbamoylanilino)oxy-ethylphosphinic acid is sourced from PubChem (CID 90007837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).