(3-oxo-3-phenylmethoxypropoxy)phosphonamidic acid

C10H14NO5P — CID 154500880

IUPAC(3-oxo-3-phenylmethoxypropoxy)phosphonamidic acid
SMILESNP(=O)(O)OCCC(=O)OCc1ccccc1
InChIInChI=1S/C10H14NO5P/c11-17(13,14)16-7-6-10(12)15-8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H3,11,13,14)
InChIKeyCBMLOZRUIJESTR-UHFFFAOYSA-N
MW259.20 g/mol
LogP1.20
Rot. Bonds6

About (3-oxo-3-phenylmethoxypropoxy)phosphonamidic acid

(3-oxo-3-phenylmethoxypropoxy)phosphonamidic acid (PubChem CID 154500880) has the molecular formula C10H14NO5P and a molecular weight of 259.20 g/mol. Its IUPAC name is (3-oxo-3-phenylmethoxypropoxy)phosphonamidic acid.

Molecular Properties

Compound Name(3-oxo-3-phenylmethoxypropoxy)phosphonamidic acid
PubChem CID154500880
Molecular FormulaC10H14NO5P
Molecular Weight259.20 g/mol
Exact Mass259.06
IUPAC Name(3-oxo-3-phenylmethoxypropoxy)phosphonamidic acid
SMILESNP(=O)(O)OCCC(=O)OCc1ccccc1
InChIInChI=1S/C10H14NO5P/c11-17(13,14)16-7-6-10(12)15-8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H3,11,13,14)
InChIKeyCBMLOZRUIJESTR-UHFFFAOYSA-N
XLogP1.20
TPSA98.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.20
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

benzyl 6-phosphonooxyhexanoate
CID 156534469
dibenzyl 4-oxoheptanedioate
CID 14639376
azanium (2-oxo-2-phenylmethoxyethyl)phosphonic acid
CID 21123143
azane;benzyl 3-phenylpropanoate
CID 175136325
4-O-amino 1-O-benzyl butanedioate
CID 54013080
benzyl 2-bis(phenylmethoxy)phosphorylacetate
CID 87986424
4-O-benzyl 1-O-[2-(2-methoxyethoxy)ethyl] butanedioate
CID 71416841
benzyl 4-phenylbutanoate
CID 11961623
CID 173397882
CID 173397882
benzyl 5-aminooxypentanoate
CID 71521535
benzyl 2-dimethylphosphoryloxyacetate
CID 59427280
4-[2-(3-oxo-3-phenylmethoxypropoxy)ethoxy]butanoic acid
CID 146657056

Frequently Asked Questions

What is the IUPAC name of (3-oxo-3-phenylmethoxypropoxy)phosphonamidic acid?
The IUPAC name of (3-oxo-3-phenylmethoxypropoxy)phosphonamidic acid (CID 154500880) is (3-oxo-3-phenylmethoxypropoxy)phosphonamidic acid.
What is the SMILES notation for (3-oxo-3-phenylmethoxypropoxy)phosphonamidic acid?
The canonical SMILES for (3-oxo-3-phenylmethoxypropoxy)phosphonamidic acid is NP(=O)(O)OCCC(=O)OCc1ccccc1.
What is the InChIKey of (3-oxo-3-phenylmethoxypropoxy)phosphonamidic acid?
The InChIKey is CBMLOZRUIJESTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14NO5P/c11-17(13,14)16-7-6-10(12)15-8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H3,11,13,14).
What are the key properties of (3-oxo-3-phenylmethoxypropoxy)phosphonamidic acid?
(3-oxo-3-phenylmethoxypropoxy)phosphonamidic acid has a molecular weight of 259.20 g/mol, XLogP of 1.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-oxo-3-phenylmethoxypropoxy)phosphonamidic acid is sourced from PubChem (CID 154500880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).