[(2-anilino-2-oxoethyl)amino]methylphosphonic acid

C9H13N2O4P — CID 68512701

IUPAC[(2-anilino-2-oxoethyl)amino]methylphosphonic acid
SMILESO=C(CNCP(=O)(O)O)Nc1ccccc1
InChIInChI=1S/C9H13N2O4P/c12-9(6-10-7-16(13,14)15)11-8-4-2-1-3-5-8/h1-5,10H,6-7H2,(H,11,12)(H2,13,14,15)
InChIKeyXXDNNORRIOMARR-UHFFFAOYSA-N
MW244.19 g/mol
LogP0.35
Rot. Bonds5

About [(2-anilino-2-oxoethyl)amino]methylphosphonic acid

[(2-anilino-2-oxoethyl)amino]methylphosphonic acid (PubChem CID 68512701) has the molecular formula C9H13N2O4P and a molecular weight of 244.19 g/mol. Its IUPAC name is [(2-anilino-2-oxoethyl)amino]methylphosphonic acid.

Molecular Properties

Compound Name[(2-anilino-2-oxoethyl)amino]methylphosphonic acid
PubChem CID68512701
Molecular FormulaC9H13N2O4P
Molecular Weight244.19 g/mol
Exact Mass244.06
IUPAC Name[(2-anilino-2-oxoethyl)amino]methylphosphonic acid
SMILESO=C(CNCP(=O)(O)O)Nc1ccccc1
InChIInChI=1S/C9H13N2O4P/c12-9(6-10-7-16(13,14)15)11-8-4-2-1-3-5-8/h1-5,10H,6-7H2,(H,11,12)(H2,13,14,15)
InChIKeyXXDNNORRIOMARR-UHFFFAOYSA-N
XLogP0.35
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.19
LogP ≤ 50.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-hydroxyphenyl)methylamino]-N-phenylacetamide
CID 115584767
3-fluoro-N-phenylpropanamide
CID 70366284
N-phenyl-2-(pyridazin-3-ylmethylamino)acetamide
CID 106895878
2-(2,2-dimethylbutylamino)-N-phenylacetamide
CID 113242973
5-[(2-anilino-2-oxoethyl)amino]pentanamide
CID 106237405
2-(2-methylsulfonylethylamino)-N-phenylacetamide
CID 54935124
2-[3-(2-methoxyethoxy)propylamino]-N-phenylacetamide
CID 103605722
N-phenyl-2-(2,2,3,3-tetrafluoropropylamino)acetamide
CID 114169332
2-(morpholin-4-ylamino)-N-phenylacetamide
CID 83021933
N-phenyl-2-(2,2,3-trimethylbutylamino)acetamide
CID 114099870
2-[(1-hydroxycycloheptyl)methylamino]-N-phenylacetamide
CID 65122153
2-(pent-4-ynylamino)-N-phenylacetamide
CID 106221583

Frequently Asked Questions

What is the IUPAC name of [(2-anilino-2-oxoethyl)amino]methylphosphonic acid?
The IUPAC name of [(2-anilino-2-oxoethyl)amino]methylphosphonic acid (CID 68512701) is [(2-anilino-2-oxoethyl)amino]methylphosphonic acid.
What is the SMILES notation for [(2-anilino-2-oxoethyl)amino]methylphosphonic acid?
The canonical SMILES for [(2-anilino-2-oxoethyl)amino]methylphosphonic acid is O=C(CNCP(=O)(O)O)Nc1ccccc1.
What is the InChIKey of [(2-anilino-2-oxoethyl)amino]methylphosphonic acid?
The InChIKey is XXDNNORRIOMARR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N2O4P/c12-9(6-10-7-16(13,14)15)11-8-4-2-1-3-5-8/h1-5,10H,6-7H2,(H,11,12)(H2,13,14,15).
What are the key properties of [(2-anilino-2-oxoethyl)amino]methylphosphonic acid?
[(2-anilino-2-oxoethyl)amino]methylphosphonic acid has a molecular weight of 244.19 g/mol, XLogP of 0.35, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-anilino-2-oxoethyl)amino]methylphosphonic acid is sourced from PubChem (CID 68512701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).