3-[(2S)-2-[3-[(2-chlorophenyl)methoxy]phenyl]morpholin-4-yl]propanoic acid

C20H22ClNO4 — CID 124564162

IUPAC3-[(2S)-2-[3-[(2-chlorophenyl)methoxy]phenyl]morpholin-4-yl]propanoic acid
SMILESO=C(O)CCN1CCO[C@@H](c2cccc(OCc3ccccc3Cl)c2)C1
InChIInChI=1S/C20H22ClNO4/c21-18-7-2-1-4-16(18)14-26-17-6-3-5-15(12-17)19-13-22(10-11-25-19)9-8-20(23)24/h1-7,12,19H,8-11,13-14H2,(H,23,24)/t19-/m1/s1
InChIKeyHLZSRDREPDNSCW-LJQANCHMSA-N
MW375.85 g/mol
LogP3.77
Rot. Bonds7

About 3-[(2S)-2-[3-[(2-chlorophenyl)methoxy]phenyl]morpholin-4-yl]propanoic acid

3-[(2S)-2-[3-[(2-chlorophenyl)methoxy]phenyl]morpholin-4-yl]propanoic acid (PubChem CID 124564162) has the molecular formula C20H22ClNO4 and a molecular weight of 375.85 g/mol. Its IUPAC name is 3-[(2S)-2-[3-[(2-chlorophenyl)methoxy]phenyl]morpholin-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[(2S)-2-[3-[(2-chlorophenyl)methoxy]phenyl]morpholin-4-yl]propanoic acid
PubChem CID124564162
Molecular FormulaC20H22ClNO4
Molecular Weight375.85 g/mol
Exact Mass375.12
IUPAC Name3-[(2S)-2-[3-[(2-chlorophenyl)methoxy]phenyl]morpholin-4-yl]propanoic acid
SMILESO=C(O)CCN1CCO[C@@H](c2cccc(OCc3ccccc3Cl)c2)C1
InChIInChI=1S/C20H22ClNO4/c21-18-7-2-1-4-16(18)14-26-17-6-3-5-15(12-17)19-13-22(10-11-25-19)9-8-20(23)24/h1-7,12,19H,8-11,13-14H2,(H,23,24)/t19-/m1/s1
InChIKeyHLZSRDREPDNSCW-LJQANCHMSA-N
XLogP3.77
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.85
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-[3-[(2-chlorophenyl)methoxy]phenyl]morpholin-4-yl]propanoyl chloride
CID 142765975
3-[2-[4-[(2-chloro-3-methylphenyl)methoxy]phenyl]morpholin-4-yl]propanoic acid
CID 67032676
3-[2-[4-[(2-chloro-4-methylphenyl)methoxy]phenyl]morpholin-4-yl]propanoic acid
CID 67032360
3-(2-phenylmorpholin-4-yl)propanoic acid
CID 119134654
3-[2-[4-[(2,6-dichlorophenoxy)methyl]phenyl]morpholin-4-yl]propanoic acid
CID 51001962
3-[2-[4-[(2,6-dichlorophenyl)methoxy]-2-fluorophenyl]morpholin-4-yl]propanoic acid;hydrochloride
CID 67032572
3-[(2R)-2-[4-[(2-chlorophenyl)methylsulfanyl]phenyl]morpholin-4-yl]propanoic acid
CID 124564163
3-[2-[4-[[2-chloro-5-(trifluoromethyl)phenyl]methoxy]phenyl]morpholin-4-yl]propanoic acid;hydrochloride
CID 67033149
3-[2-[4-[(2-bromophenyl)methoxy]-2-methylphenyl]morpholin-4-yl]propanoic acid
CID 51002069
3-[2-[4-[(2-chloro-5-propylphenyl)methoxy]phenyl]morpholin-4-yl]propanoic acid;hydrochloride
CID 67032565
3-[2-(4-phenoxyphenyl)morpholin-4-yl]propanoic acid;hydrochloride
CID 66654044
2-(3-phenylmethoxyphenyl)-4-propylmorpholine
CID 15006489

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-2-[3-[(2-chlorophenyl)methoxy]phenyl]morpholin-4-yl]propanoic acid?
The IUPAC name of 3-[(2S)-2-[3-[(2-chlorophenyl)methoxy]phenyl]morpholin-4-yl]propanoic acid (CID 124564162) is 3-[(2S)-2-[3-[(2-chlorophenyl)methoxy]phenyl]morpholin-4-yl]propanoic acid.
What is the SMILES notation for 3-[(2S)-2-[3-[(2-chlorophenyl)methoxy]phenyl]morpholin-4-yl]propanoic acid?
The canonical SMILES for 3-[(2S)-2-[3-[(2-chlorophenyl)methoxy]phenyl]morpholin-4-yl]propanoic acid is O=C(O)CCN1CCO[C@@H](c2cccc(OCc3ccccc3Cl)c2)C1.
What is the InChIKey of 3-[(2S)-2-[3-[(2-chlorophenyl)methoxy]phenyl]morpholin-4-yl]propanoic acid?
The InChIKey is HLZSRDREPDNSCW-LJQANCHMSA-N. The full InChI is InChI=1S/C20H22ClNO4/c21-18-7-2-1-4-16(18)14-26-17-6-3-5-15(12-17)19-13-22(10-11-25-19)9-8-20(23)24/h1-7,12,19H,8-11,13-14H2,(H,23,24)/t19-/m1/s1.
What are the key properties of 3-[(2S)-2-[3-[(2-chlorophenyl)methoxy]phenyl]morpholin-4-yl]propanoic acid?
3-[(2S)-2-[3-[(2-chlorophenyl)methoxy]phenyl]morpholin-4-yl]propanoic acid has a molecular weight of 375.85 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-2-[3-[(2-chlorophenyl)methoxy]phenyl]morpholin-4-yl]propanoic acid is sourced from PubChem (CID 124564162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).