[(3R,5S)-5-benzylmorpholin-3-yl]phosphonic acid

C11H16NO4P — CID 102365390

IUPAC[(3R,5S)-5-benzylmorpholin-3-yl]phosphonic acid
SMILESO=P(O)(O)[C@@H]1COC[C@H](Cc2ccccc2)N1
InChIInChI=1S/C11H16NO4P/c13-17(14,15)11-8-16-7-10(12-11)6-9-4-2-1-3-5-9/h1-5,10-12H,6-8H2,(H2,13,14,15)/t10-,11+/m0/s1
InChIKeyIBBBWNVOFWFYLO-WDEREUQCSA-N
MW257.23 g/mol
LogP0.72
Rot. Bonds3

About [(3R,5S)-5-benzylmorpholin-3-yl]phosphonic acid

[(3R,5S)-5-benzylmorpholin-3-yl]phosphonic acid (PubChem CID 102365390) has the molecular formula C11H16NO4P and a molecular weight of 257.23 g/mol. Its IUPAC name is [(3R,5S)-5-benzylmorpholin-3-yl]phosphonic acid.

Molecular Properties

Compound Name[(3R,5S)-5-benzylmorpholin-3-yl]phosphonic acid
PubChem CID102365390
Molecular FormulaC11H16NO4P
Molecular Weight257.23 g/mol
Exact Mass257.08
IUPAC Name[(3R,5S)-5-benzylmorpholin-3-yl]phosphonic acid
SMILESO=P(O)(O)[C@@H]1COC[C@H](Cc2ccccc2)N1
InChIInChI=1S/C11H16NO4P/c13-17(14,15)11-8-16-7-10(12-11)6-9-4-2-1-3-5-9/h1-5,10-12H,6-8H2,(H2,13,14,15)/t10-,11+/m0/s1
InChIKeyIBBBWNVOFWFYLO-WDEREUQCSA-N
XLogP0.72
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.23
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-benzyl-5-(difluoromethyl)morpholine
CID 137409064
4-benzyl-1,3-oxazolidine
CID 22719793
4-benzyl-2-methyl-1,3-oxazolidine
CID 82280019
(4R)-4-benzyl-1,3-oxazolidine-2-carbaldehyde
CID 174480372
N-[2-[5-[(3,4-dichlorophenyl)methyl]morpholin-3-yl]ethyl]-2-phenylacetamide
CID 10092784
4-benzyloxolan-3-ol
CID 14785279
(4S)-4-benzyl-3,4,5,6-tetrahydro-1H-2,5-benzoxazocine
CID 97102714
3,5-dibenzylmorpholine-4-carboxylic acid
CID 174864328
lithium (4S)-4-benzyl-1,3-oxazolidin-2-one
CID 21353540
(4R)-4-benzyl-1,3,4,5-tetrahydro-2,5-benzoxazocin-6-one
CID 97102711
7-benzyl-9-oxa-6-azaspiro[4.5]decane
CID 56766379
3-benzyl-5,7-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine
CID 64751241

Frequently Asked Questions

What is the IUPAC name of [(3R,5S)-5-benzylmorpholin-3-yl]phosphonic acid?
The IUPAC name of [(3R,5S)-5-benzylmorpholin-3-yl]phosphonic acid (CID 102365390) is [(3R,5S)-5-benzylmorpholin-3-yl]phosphonic acid.
What is the SMILES notation for [(3R,5S)-5-benzylmorpholin-3-yl]phosphonic acid?
The canonical SMILES for [(3R,5S)-5-benzylmorpholin-3-yl]phosphonic acid is O=P(O)(O)[C@@H]1COC[C@H](Cc2ccccc2)N1.
What is the InChIKey of [(3R,5S)-5-benzylmorpholin-3-yl]phosphonic acid?
The InChIKey is IBBBWNVOFWFYLO-WDEREUQCSA-N. The full InChI is InChI=1S/C11H16NO4P/c13-17(14,15)11-8-16-7-10(12-11)6-9-4-2-1-3-5-9/h1-5,10-12H,6-8H2,(H2,13,14,15)/t10-,11+/m0/s1.
What are the key properties of [(3R,5S)-5-benzylmorpholin-3-yl]phosphonic acid?
[(3R,5S)-5-benzylmorpholin-3-yl]phosphonic acid has a molecular weight of 257.23 g/mol, XLogP of 0.72, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,5S)-5-benzylmorpholin-3-yl]phosphonic acid is sourced from PubChem (CID 102365390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).