2-[(2S,6R)-2-methyl-6-phenylmorpholin-4-yl]acetic acid

C13H17NO3 — CID 100637021

IUPAC2-[(2S,6R)-2-methyl-6-phenylmorpholin-4-yl]acetic acid
SMILESC[C@H]1CN(CC(=O)O)C[C@@H](c2ccccc2)O1
InChIInChI=1S/C13H17NO3/c1-10-7-14(9-13(15)16)8-12(17-10)11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3,(H,15,16)/t10-,12-/m0/s1
InChIKeyOADUWLBOCYHQFW-JQWIXIFHSA-N
MW235.28 g/mol
LogP1.53
Rot. Bonds3

About 2-[(2S,6R)-2-methyl-6-phenylmorpholin-4-yl]acetic acid

2-[(2S,6R)-2-methyl-6-phenylmorpholin-4-yl]acetic acid (PubChem CID 100637021) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 2-[(2S,6R)-2-methyl-6-phenylmorpholin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[(2S,6R)-2-methyl-6-phenylmorpholin-4-yl]acetic acid
PubChem CID100637021
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name2-[(2S,6R)-2-methyl-6-phenylmorpholin-4-yl]acetic acid
SMILESC[C@H]1CN(CC(=O)O)C[C@@H](c2ccccc2)O1
InChIInChI=1S/C13H17NO3/c1-10-7-14(9-13(15)16)8-12(17-10)11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3,(H,15,16)/t10-,12-/m0/s1
InChIKeyOADUWLBOCYHQFW-JQWIXIFHSA-N
XLogP1.53
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]propanoic acid
CID 125130229
N-(4-methylcyclohexyl)-2-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]acetamide
CID 100849239
N-cyclopropyl-3-[(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]propanamide
CID 94823090
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-methyl-6-phenylmorpholin-4-yl)-phenylmethanone
CID 47914795
2-[(6R)-2-carbamoyl-6-methylmorpholin-4-yl]acetic acid;hydrochloride
CID 130735459
2-[(2S,6R)-2-tert-butyl-6-phenylmorpholin-4-yl]acetamide
CID 155912794
N-[4-[[(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 95371996
5,5-dimethyl-1-[2-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 95772464
1-(2-methyl-6-phenylmorpholin-4-yl)-2-phenoxyethanone
CID 47914743
2-[(2S,5R)-5-methyl-2-phenylmorpholin-4-yl]acetic acid
CID 125130227

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,6R)-2-methyl-6-phenylmorpholin-4-yl]acetic acid?
The IUPAC name of 2-[(2S,6R)-2-methyl-6-phenylmorpholin-4-yl]acetic acid (CID 100637021) is 2-[(2S,6R)-2-methyl-6-phenylmorpholin-4-yl]acetic acid.
What is the SMILES notation for 2-[(2S,6R)-2-methyl-6-phenylmorpholin-4-yl]acetic acid?
The canonical SMILES for 2-[(2S,6R)-2-methyl-6-phenylmorpholin-4-yl]acetic acid is C[C@H]1CN(CC(=O)O)C[C@@H](c2ccccc2)O1.
What is the InChIKey of 2-[(2S,6R)-2-methyl-6-phenylmorpholin-4-yl]acetic acid?
The InChIKey is OADUWLBOCYHQFW-JQWIXIFHSA-N. The full InChI is InChI=1S/C13H17NO3/c1-10-7-14(9-13(15)16)8-12(17-10)11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3,(H,15,16)/t10-,12-/m0/s1.
What are the key properties of 2-[(2S,6R)-2-methyl-6-phenylmorpholin-4-yl]acetic acid?
2-[(2S,6R)-2-methyl-6-phenylmorpholin-4-yl]acetic acid has a molecular weight of 235.28 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,6R)-2-methyl-6-phenylmorpholin-4-yl]acetic acid is sourced from PubChem (CID 100637021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).