2-[(S)-amino(diethoxyphosphoryl)methyl]phenol

C11H18NO4P — CID 171191680

IUPAC2-[(S)-amino(diethoxyphosphoryl)methyl]phenol
SMILESCCOP(=O)(OCC)[C@H](N)c1ccccc1O
InChIInChI=1S/C11H18NO4P/c1-3-15-17(14,16-4-2)11(12)9-7-5-6-8-10(9)13/h5-8,11,13H,3-4,12H2,1-2H3/t11-/m0/s1
InChIKeyGXCXCMUBKDZBMF-NSHDSACASA-N
MW259.24 g/mol
LogP2.62
Rot. Bonds6

About 2-[(S)-amino(diethoxyphosphoryl)methyl]phenol

2-[(S)-amino(diethoxyphosphoryl)methyl]phenol (PubChem CID 171191680) has the molecular formula C11H18NO4P and a molecular weight of 259.24 g/mol. Its IUPAC name is 2-[(S)-amino(diethoxyphosphoryl)methyl]phenol.

Molecular Properties

Compound Name2-[(S)-amino(diethoxyphosphoryl)methyl]phenol
PubChem CID171191680
Molecular FormulaC11H18NO4P
Molecular Weight259.24 g/mol
Exact Mass259.10
IUPAC Name2-[(S)-amino(diethoxyphosphoryl)methyl]phenol
SMILESCCOP(=O)(OCC)[C@H](N)c1ccccc1O
InChIInChI=1S/C11H18NO4P/c1-3-15-17(14,16-4-2)11(12)9-7-5-6-8-10(9)13/h5-8,11,13H,3-4,12H2,1-2H3/t11-/m0/s1
InChIKeyGXCXCMUBKDZBMF-NSHDSACASA-N
XLogP2.62
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.24
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(S)-amino(diethoxyphosphoryl)methyl]phenol?
The IUPAC name of 2-[(S)-amino(diethoxyphosphoryl)methyl]phenol (CID 171191680) is 2-[(S)-amino(diethoxyphosphoryl)methyl]phenol.
What is the SMILES notation for 2-[(S)-amino(diethoxyphosphoryl)methyl]phenol?
The canonical SMILES for 2-[(S)-amino(diethoxyphosphoryl)methyl]phenol is CCOP(=O)(OCC)[C@H](N)c1ccccc1O.
What is the InChIKey of 2-[(S)-amino(diethoxyphosphoryl)methyl]phenol?
The InChIKey is GXCXCMUBKDZBMF-NSHDSACASA-N. The full InChI is InChI=1S/C11H18NO4P/c1-3-15-17(14,16-4-2)11(12)9-7-5-6-8-10(9)13/h5-8,11,13H,3-4,12H2,1-2H3/t11-/m0/s1.
What are the key properties of 2-[(S)-amino(diethoxyphosphoryl)methyl]phenol?
2-[(S)-amino(diethoxyphosphoryl)methyl]phenol has a molecular weight of 259.24 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(S)-amino(diethoxyphosphoryl)methyl]phenol is sourced from PubChem (CID 171191680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).