3-[(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]propanoic acid

C14H19NO3 — CID 125130229

IUPAC3-[(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]propanoic acid
SMILESC[C@H]1CN(CCC(=O)O)C[C@H](c2ccccc2)O1
InChIInChI=1S/C14H19NO3/c1-11-9-15(8-7-14(16)17)10-13(18-11)12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3,(H,16,17)/t11-,13+/m0/s1
InChIKeyZDOQLPSDKYFVPM-WCQYABFASA-N
MW249.31 g/mol
LogP1.92
Rot. Bonds4

About 3-[(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]propanoic acid

3-[(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]propanoic acid (PubChem CID 125130229) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-[(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]propanoic acid
PubChem CID125130229
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name3-[(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]propanoic acid
SMILESC[C@H]1CN(CCC(=O)O)C[C@H](c2ccccc2)O1
InChIInChI=1S/C14H19NO3/c1-11-9-15(8-7-14(16)17)10-13(18-11)12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3,(H,16,17)/t11-,13+/m0/s1
InChIKeyZDOQLPSDKYFVPM-WCQYABFASA-N
XLogP1.92
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 ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2S,6S)-2-(4-fluorophenyl)-6-methylmorpholin-4-yl]propanoic acid
CID 129433226
3-[(2R,6S)-2-(4-fluorophenyl)-6-methylmorpholin-4-yl]propanoic acid
CID 129415173
2-[(2S,6R)-2-methyl-6-phenylmorpholin-4-yl]acetic acid
CID 100637021
N-cyclopropyl-3-[(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]propanamide
CID 94823090
3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propanoic acid
CID 7258532
4-[(2S,6R)-2-methyl-6-thiophen-3-ylmorpholin-4-yl]butanoic acid
CID 124729091
3-(2-phenylmorpholin-4-yl)propanoic acid
CID 119134654
N-(4-methylcyclohexyl)-2-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]acetamide
CID 100849239
(2-methyl-6-phenylmorpholin-4-yl)-phenylmethanone
CID 47914795
4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]butanoic acid
CID 27351748
N-[4-[[(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 95371996
3-[(3S)-3-phenylpyrrolidin-1-yl]propanoic acid
CID 94362410

Frequently Asked Questions

What is the IUPAC name of 3-[(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]propanoic acid?
The IUPAC name of 3-[(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]propanoic acid (CID 125130229) is 3-[(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]propanoic acid.
What is the SMILES notation for 3-[(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]propanoic acid?
The canonical SMILES for 3-[(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]propanoic acid is C[C@H]1CN(CCC(=O)O)C[C@H](c2ccccc2)O1.
What is the InChIKey of 3-[(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]propanoic acid?
The InChIKey is ZDOQLPSDKYFVPM-WCQYABFASA-N. The full InChI is InChI=1S/C14H19NO3/c1-11-9-15(8-7-14(16)17)10-13(18-11)12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3,(H,16,17)/t11-,13+/m0/s1.
What are the key properties of 3-[(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]propanoic acid?
3-[(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]propanoic acid has a molecular weight of 249.31 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]propanoic acid is sourced from PubChem (CID 125130229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).