3-[hydroxy(naphthalene-1-carbonyl)amino]propylphosphonic acid

C14H16NO5P — CID 46878272

IUPAC3-[hydroxy(naphthalene-1-carbonyl)amino]propylphosphonic acid
SMILESO=C(c1cccc2ccccc12)N(O)CCCP(=O)(O)O
InChIInChI=1S/C14H16NO5P/c16-14(15(17)9-4-10-21(18,19)20)13-8-3-6-11-5-1-2-7-12(11)13/h1-3,5-8,17H,4,9-10H2,(H2,18,19,20)
InChIKeyGQEOAWGCRFYWAA-UHFFFAOYSA-N
MW309.26 g/mol
LogP2.24
Rot. Bonds5

About 3-[hydroxy(naphthalene-1-carbonyl)amino]propylphosphonic acid

3-[hydroxy(naphthalene-1-carbonyl)amino]propylphosphonic acid (PubChem CID 46878272) has the molecular formula C14H16NO5P and a molecular weight of 309.26 g/mol. Its IUPAC name is 3-[hydroxy(naphthalene-1-carbonyl)amino]propylphosphonic acid.

Molecular Properties

Compound Name3-[hydroxy(naphthalene-1-carbonyl)amino]propylphosphonic acid
PubChem CID46878272
Molecular FormulaC14H16NO5P
Molecular Weight309.26 g/mol
Exact Mass309.08
IUPAC Name3-[hydroxy(naphthalene-1-carbonyl)amino]propylphosphonic acid
SMILESO=C(c1cccc2ccccc12)N(O)CCCP(=O)(O)O
InChIInChI=1S/C14H16NO5P/c16-14(15(17)9-4-10-21(18,19)20)13-8-3-6-11-5-1-2-7-12(11)13/h1-3,5-8,17H,4,9-10H2,(H2,18,19,20)
InChIKeyGQEOAWGCRFYWAA-UHFFFAOYSA-N
XLogP2.24
TPSA98.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.26
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[hydroxy(naphthalene-1-carbonyl)amino]propylphosphonic acid?
The IUPAC name of 3-[hydroxy(naphthalene-1-carbonyl)amino]propylphosphonic acid (CID 46878272) is 3-[hydroxy(naphthalene-1-carbonyl)amino]propylphosphonic acid.
What is the SMILES notation for 3-[hydroxy(naphthalene-1-carbonyl)amino]propylphosphonic acid?
The canonical SMILES for 3-[hydroxy(naphthalene-1-carbonyl)amino]propylphosphonic acid is O=C(c1cccc2ccccc12)N(O)CCCP(=O)(O)O.
What is the InChIKey of 3-[hydroxy(naphthalene-1-carbonyl)amino]propylphosphonic acid?
The InChIKey is GQEOAWGCRFYWAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16NO5P/c16-14(15(17)9-4-10-21(18,19)20)13-8-3-6-11-5-1-2-7-12(11)13/h1-3,5-8,17H,4,9-10H2,(H2,18,19,20).
What are the key properties of 3-[hydroxy(naphthalene-1-carbonyl)amino]propylphosphonic acid?
3-[hydroxy(naphthalene-1-carbonyl)amino]propylphosphonic acid has a molecular weight of 309.26 g/mol, XLogP of 2.24, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[hydroxy(naphthalene-1-carbonyl)amino]propylphosphonic acid is sourced from PubChem (CID 46878272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).