2-[(2S,5R)-5-methyl-2-phenylmorpholin-4-yl]acetic acid

C13H17NO3 — CID 125130227

IUPAC2-[(2S,5R)-5-methyl-2-phenylmorpholin-4-yl]acetic acid
SMILESC[C@@H]1CO[C@@H](c2ccccc2)CN1CC(=O)O
InChIInChI=1S/C13H17NO3/c1-10-9-17-12(7-14(10)8-13(15)16)11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3,(H,15,16)/t10-,12-/m1/s1
InChIKeyZDAVURGEUUEMDE-ZYHUDNBSSA-N
MW235.28 g/mol
LogP1.53
Rot. Bonds3

About 2-[(2S,5R)-5-methyl-2-phenylmorpholin-4-yl]acetic acid

2-[(2S,5R)-5-methyl-2-phenylmorpholin-4-yl]acetic acid (PubChem CID 125130227) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 2-[(2S,5R)-5-methyl-2-phenylmorpholin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[(2S,5R)-5-methyl-2-phenylmorpholin-4-yl]acetic acid
PubChem CID125130227
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name2-[(2S,5R)-5-methyl-2-phenylmorpholin-4-yl]acetic acid
SMILESC[C@@H]1CO[C@@H](c2ccccc2)CN1CC(=O)O
InChIInChI=1S/C13H17NO3/c1-10-9-17-12(7-14(10)8-13(15)16)11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3,(H,15,16)/t10-,12-/m1/s1
InChIKeyZDAVURGEUUEMDE-ZYHUDNBSSA-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

2-(5-methyl-2-phenylmorpholin-4-yl)acetic acid
CID 119135239
2-[2-(2-chlorophenyl)-5-methylmorpholin-4-yl]acetic acid;hydrochloride
CID 71930920
2-[(2S,5R)-5-methyl-2-phenylmorpholin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 124776476
3-(5-methyl-2-phenylmorpholin-4-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120981473
2-(2-methyl-4-phenylpyrrolidin-1-yl)acetic acid
CID 119135565
2-[4-[(2S,5R)-5-methyl-2-phenylmorpholine-4-carbonyl]triazol-1-yl]acetic acid
CID 166303132
2-[(2R,3R,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]acetic acid
CID 129415062
3-[(2S,5S)-2-(2-chlorophenyl)-5-methylmorpholin-4-yl]propanoic acid
CID 97094799
3-[(2S,5R)-2-(2-chlorophenyl)-5-methylmorpholin-4-yl]propanoic acid
CID 97094798
methyl 2-cyano-3-[[(2S,5R)-5-methyl-2-phenylmorpholin-4-yl]methyl]benzoate
CID 167894746
2-(4-fluorophenyl)-1-(5-methyl-2-phenylmorpholin-4-yl)ethanone
CID 110369331
2-methyl-3-(methylamino)-1-(5-methyl-2-phenylmorpholin-4-yl)propan-1-one
CID 119769860

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,5R)-5-methyl-2-phenylmorpholin-4-yl]acetic acid?
The IUPAC name of 2-[(2S,5R)-5-methyl-2-phenylmorpholin-4-yl]acetic acid (CID 125130227) is 2-[(2S,5R)-5-methyl-2-phenylmorpholin-4-yl]acetic acid.
What is the SMILES notation for 2-[(2S,5R)-5-methyl-2-phenylmorpholin-4-yl]acetic acid?
The canonical SMILES for 2-[(2S,5R)-5-methyl-2-phenylmorpholin-4-yl]acetic acid is C[C@@H]1CO[C@@H](c2ccccc2)CN1CC(=O)O.
What is the InChIKey of 2-[(2S,5R)-5-methyl-2-phenylmorpholin-4-yl]acetic acid?
The InChIKey is ZDAVURGEUUEMDE-ZYHUDNBSSA-N. The full InChI is InChI=1S/C13H17NO3/c1-10-9-17-12(7-14(10)8-13(15)16)11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3,(H,15,16)/t10-,12-/m1/s1.
What are the key properties of 2-[(2S,5R)-5-methyl-2-phenylmorpholin-4-yl]acetic acid?
2-[(2S,5R)-5-methyl-2-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,5R)-5-methyl-2-phenylmorpholin-4-yl]acetic acid is sourced from PubChem (CID 125130227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).