[(oxan-4-ylamino)-phosphonomethyl]phosphonic acid

C6H15NO7P2 — CID 14884330

IUPAC[(oxan-4-ylamino)-phosphonomethyl]phosphonic acid
SMILESO=P(O)(O)C(NC1CCOCC1)P(=O)(O)O
InChIInChI=1S/C6H15NO7P2/c8-15(9,10)6(16(11,12)13)7-5-1-3-14-4-2-5/h5-7H,1-4H2,(H2,8,9,10)(H2,11,12,13)
InChIKeyWPFJHVQDMZFAHO-UHFFFAOYSA-N
MW275.13 g/mol
LogP-0.61
Rot. Bonds4

About [(oxan-4-ylamino)-phosphonomethyl]phosphonic acid

[(oxan-4-ylamino)-phosphonomethyl]phosphonic acid (PubChem CID 14884330) has the molecular formula C6H15NO7P2 and a molecular weight of 275.13 g/mol. Its IUPAC name is [(oxan-4-ylamino)-phosphonomethyl]phosphonic acid.

Molecular Properties

Compound Name[(oxan-4-ylamino)-phosphonomethyl]phosphonic acid
PubChem CID14884330
Molecular FormulaC6H15NO7P2
Molecular Weight275.13 g/mol
Exact Mass275.03
IUPAC Name[(oxan-4-ylamino)-phosphonomethyl]phosphonic acid
SMILESO=P(O)(O)C(NC1CCOCC1)P(=O)(O)O
InChIInChI=1S/C6H15NO7P2/c8-15(9,10)6(16(11,12)13)7-5-1-3-14-4-2-5/h5-7H,1-4H2,(H2,8,9,10)(H2,11,12,13)
InChIKeyWPFJHVQDMZFAHO-UHFFFAOYSA-N
XLogP-0.61
TPSA136.32 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.13
LogP ≤ 5-0.61
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [(oxan-4-ylamino)-phosphonomethyl]phosphonic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2R)-3-methylbutan-2-yl]oxan-4-amine
CID 93218328
N-(oxan-4-yl)hydroxylamine
CID 82687656
N-ethyl-N-methyl-2-(oxan-4-ylamino)propanamide
CID 103107263
4-methyl-2-(oxan-4-ylamino)pentan-1-ol
CID 21355434
N-(3-methoxypropyl)-2-(oxan-4-ylamino)propanamide
CID 43610209
N-(1-cyclopropylpropan-2-yl)oxan-4-amine
CID 63989117
1-morpholin-4-yl-2-(oxepan-4-ylamino)propan-1-one
CID 112551283
1-cyclobutyl-3-(oxan-4-yl)urea
CID 115617670
2-(cyclohexylamino)-2-(oxan-4-yl)ethanol
CID 62391437
N-[1-(4-methylsulfonylphenyl)ethyl]oxan-4-amine
CID 43609832
methyl 2-(oxan-4-ylamino)hexanoate
CID 103830638
3-methyl-2-(oxepan-4-ylamino)butan-1-ol
CID 79254168

Frequently Asked Questions

What is the IUPAC name of [(oxan-4-ylamino)-phosphonomethyl]phosphonic acid?
The IUPAC name of [(oxan-4-ylamino)-phosphonomethyl]phosphonic acid (CID 14884330) is [(oxan-4-ylamino)-phosphonomethyl]phosphonic acid.
What is the SMILES notation for [(oxan-4-ylamino)-phosphonomethyl]phosphonic acid?
The canonical SMILES for [(oxan-4-ylamino)-phosphonomethyl]phosphonic acid is O=P(O)(O)C(NC1CCOCC1)P(=O)(O)O.
What is the InChIKey of [(oxan-4-ylamino)-phosphonomethyl]phosphonic acid?
The InChIKey is WPFJHVQDMZFAHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO7P2/c8-15(9,10)6(16(11,12)13)7-5-1-3-14-4-2-5/h5-7H,1-4H2,(H2,8,9,10)(H2,11,12,13).
What are the key properties of [(oxan-4-ylamino)-phosphonomethyl]phosphonic acid?
[(oxan-4-ylamino)-phosphonomethyl]phosphonic acid has a molecular weight of 275.13 g/mol, XLogP of -0.61, 4 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(oxan-4-ylamino)-phosphonomethyl]phosphonic acid is sourced from PubChem (CID 14884330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).