2-[(2R,3R,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]acetic acid

C14H19NO3 — CID 129415062

IUPAC2-[(2R,3R,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]acetic acid
SMILESC[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)N1CC(=O)O
InChIInChI=1S/C14H19NO3/c1-10-9-18-14(12-6-4-3-5-7-12)11(2)15(10)8-13(16)17/h3-7,10-11,14H,8-9H2,1-2H3,(H,16,17)/t10-,11-,14+/m1/s1
InChIKeyBPZCEEJRYFYWHQ-GYSYKLTISA-N
MW249.31 g/mol
LogP1.92
Rot. Bonds3

About 2-[(2R,3R,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]acetic acid

2-[(2R,3R,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]acetic acid (PubChem CID 129415062) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-[(2R,3R,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[(2R,3R,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]acetic acid
PubChem CID129415062
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name2-[(2R,3R,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]acetic acid
SMILESC[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)N1CC(=O)O
InChIInChI=1S/C14H19NO3/c1-10-9-18-14(12-6-4-3-5-7-12)11(2)15(10)8-13(16)17/h3-7,10-11,14H,8-9H2,1-2H3,(H,16,17)/t10-,11-,14+/m1/s1
InChIKeyBPZCEEJRYFYWHQ-GYSYKLTISA-N
XLogP1.92
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R,3R,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]acetic acid?
The IUPAC name of 2-[(2R,3R,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]acetic acid (CID 129415062) is 2-[(2R,3R,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]acetic acid.
What is the SMILES notation for 2-[(2R,3R,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]acetic acid?
The canonical SMILES for 2-[(2R,3R,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]acetic acid is C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)N1CC(=O)O.
What is the InChIKey of 2-[(2R,3R,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]acetic acid?
The InChIKey is BPZCEEJRYFYWHQ-GYSYKLTISA-N. The full InChI is InChI=1S/C14H19NO3/c1-10-9-18-14(12-6-4-3-5-7-12)11(2)15(10)8-13(16)17/h3-7,10-11,14H,8-9H2,1-2H3,(H,16,17)/t10-,11-,14+/m1/s1.
What are the key properties of 2-[(2R,3R,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]acetic acid?
2-[(2R,3R,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]acetic acid has a molecular weight of 249.31 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,3R,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]acetic acid is sourced from PubChem (CID 129415062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).