3-[(2R)-2-methyl-2-phenylmorpholin-4-yl]propanoic acid

C14H19NO3 — CID 124692793

IUPAC3-[(2R)-2-methyl-2-phenylmorpholin-4-yl]propanoic acid
SMILESC[C@@]1(c2ccccc2)CN(CCC(=O)O)CCO1
InChIInChI=1S/C14H19NO3/c1-14(12-5-3-2-4-6-12)11-15(9-10-18-14)8-7-13(16)17/h2-6H,7-11H2,1H3,(H,16,17)/t14-/m0/s1
InChIKeyYZAATFXYAHMGCS-AWEZNQCLSA-N
MW249.31 g/mol
LogP1.71
Rot. Bonds4

About 3-[(2R)-2-methyl-2-phenylmorpholin-4-yl]propanoic acid

3-[(2R)-2-methyl-2-phenylmorpholin-4-yl]propanoic acid (PubChem CID 124692793) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-[(2R)-2-methyl-2-phenylmorpholin-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[(2R)-2-methyl-2-phenylmorpholin-4-yl]propanoic acid
PubChem CID124692793
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name3-[(2R)-2-methyl-2-phenylmorpholin-4-yl]propanoic acid
SMILESC[C@@]1(c2ccccc2)CN(CCC(=O)O)CCO1
InChIInChI=1S/C14H19NO3/c1-14(12-5-3-2-4-6-12)11-15(9-10-18-14)8-7-13(16)17/h2-6H,7-11H2,1H3,(H,16,17)/t14-/m0/s1
InChIKeyYZAATFXYAHMGCS-AWEZNQCLSA-N
XLogP1.71
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-2-methyl-2-phenylmorpholin-4-yl]propanoic acid?
The IUPAC name of 3-[(2R)-2-methyl-2-phenylmorpholin-4-yl]propanoic acid (CID 124692793) is 3-[(2R)-2-methyl-2-phenylmorpholin-4-yl]propanoic acid.
What is the SMILES notation for 3-[(2R)-2-methyl-2-phenylmorpholin-4-yl]propanoic acid?
The canonical SMILES for 3-[(2R)-2-methyl-2-phenylmorpholin-4-yl]propanoic acid is C[C@@]1(c2ccccc2)CN(CCC(=O)O)CCO1.
What is the InChIKey of 3-[(2R)-2-methyl-2-phenylmorpholin-4-yl]propanoic acid?
The InChIKey is YZAATFXYAHMGCS-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H19NO3/c1-14(12-5-3-2-4-6-12)11-15(9-10-18-14)8-7-13(16)17/h2-6H,7-11H2,1H3,(H,16,17)/t14-/m0/s1.
What are the key properties of 3-[(2R)-2-methyl-2-phenylmorpholin-4-yl]propanoic acid?
3-[(2R)-2-methyl-2-phenylmorpholin-4-yl]propanoic acid has a molecular weight of 249.31 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-2-methyl-2-phenylmorpholin-4-yl]propanoic acid is sourced from PubChem (CID 124692793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).