(1R,2R,3R)-2-amino-3-methyl-1-oxo-1-phenyl-1lambda5-phospholan-3-ol

C11H16NO2P — CID 15870159

IUPAC(1R,2R,3R)-2-amino-3-methyl-1-oxo-1-phenyl-1lambda5-phospholan-3-ol
SMILESC[C@@]1(O)CC[P@@](=O)(c2ccccc2)[C@H]1N
InChIInChI=1S/C11H16NO2P/c1-11(13)7-8-15(14,10(11)12)9-5-3-2-4-6-9/h2-6,10,13H,7-8,12H2,1H3/t10-,11-,15-/m1/s1
InChIKeyUYLYVJKCTORYPI-UEKVPHQBSA-N
MW225.23 g/mol
LogP1.11
Rot. Bonds1

About (1R,2R,3R)-2-amino-3-methyl-1-oxo-1-phenyl-1lambda5-phospholan-3-ol

(1R,2R,3R)-2-amino-3-methyl-1-oxo-1-phenyl-1lambda5-phospholan-3-ol (PubChem CID 15870159) has the molecular formula C11H16NO2P and a molecular weight of 225.23 g/mol. Its IUPAC name is (1R,2R,3R)-2-amino-3-methyl-1-oxo-1-phenyl-1lambda5-phospholan-3-ol.

Molecular Properties

Compound Name(1R,2R,3R)-2-amino-3-methyl-1-oxo-1-phenyl-1lambda5-phospholan-3-ol
PubChem CID15870159
Molecular FormulaC11H16NO2P
Molecular Weight225.23 g/mol
Exact Mass225.09
IUPAC Name(1R,2R,3R)-2-amino-3-methyl-1-oxo-1-phenyl-1lambda5-phospholan-3-ol
SMILESC[C@@]1(O)CC[P@@](=O)(c2ccccc2)[C@H]1N
InChIInChI=1S/C11H16NO2P/c1-11(13)7-8-15(14,10(11)12)9-5-3-2-4-6-9/h2-6,10,13H,7-8,12H2,1H3/t10-,11-,15-/m1/s1
InChIKeyUYLYVJKCTORYPI-UEKVPHQBSA-N
XLogP1.11
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.23
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,3R)-2-amino-3-methyl-1-oxo-1-phenyl-1lambda5-phospholan-3-ol?
The IUPAC name of (1R,2R,3R)-2-amino-3-methyl-1-oxo-1-phenyl-1lambda5-phospholan-3-ol (CID 15870159) is (1R,2R,3R)-2-amino-3-methyl-1-oxo-1-phenyl-1lambda5-phospholan-3-ol.
What is the SMILES notation for (1R,2R,3R)-2-amino-3-methyl-1-oxo-1-phenyl-1lambda5-phospholan-3-ol?
The canonical SMILES for (1R,2R,3R)-2-amino-3-methyl-1-oxo-1-phenyl-1lambda5-phospholan-3-ol is C[C@@]1(O)CC[P@@](=O)(c2ccccc2)[C@H]1N.
What is the InChIKey of (1R,2R,3R)-2-amino-3-methyl-1-oxo-1-phenyl-1lambda5-phospholan-3-ol?
The InChIKey is UYLYVJKCTORYPI-UEKVPHQBSA-N. The full InChI is InChI=1S/C11H16NO2P/c1-11(13)7-8-15(14,10(11)12)9-5-3-2-4-6-9/h2-6,10,13H,7-8,12H2,1H3/t10-,11-,15-/m1/s1.
What are the key properties of (1R,2R,3R)-2-amino-3-methyl-1-oxo-1-phenyl-1lambda5-phospholan-3-ol?
(1R,2R,3R)-2-amino-3-methyl-1-oxo-1-phenyl-1lambda5-phospholan-3-ol has a molecular weight of 225.23 g/mol, XLogP of 1.11, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3R)-2-amino-3-methyl-1-oxo-1-phenyl-1lambda5-phospholan-3-ol is sourced from PubChem (CID 15870159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).