3-[2-(4-naphthalen-1-yloxyphenyl)morpholin-4-yl]propanoic acid

C23H23NO4 — CID 56597204

IUPAC3-[2-(4-naphthalen-1-yloxyphenyl)morpholin-4-yl]propanoic acid
SMILESO=C(O)CCN1CCOC(c2ccc(Oc3cccc4ccccc34)cc2)C1
InChIInChI=1S/C23H23NO4/c25-23(26)12-13-24-14-15-27-22(16-24)18-8-10-19(11-9-18)28-21-7-3-5-17-4-1-2-6-20(17)21/h1-11,22H,12-16H2,(H,25,26)
InChIKeyJZSISRLCKVNHQS-UHFFFAOYSA-N
MW377.44 g/mol
LogP4.48
Rot. Bonds6

About 3-[2-(4-naphthalen-1-yloxyphenyl)morpholin-4-yl]propanoic acid

3-[2-(4-naphthalen-1-yloxyphenyl)morpholin-4-yl]propanoic acid (PubChem CID 56597204) has the molecular formula C23H23NO4 and a molecular weight of 377.44 g/mol. Its IUPAC name is 3-[2-(4-naphthalen-1-yloxyphenyl)morpholin-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[2-(4-naphthalen-1-yloxyphenyl)morpholin-4-yl]propanoic acid
PubChem CID56597204
Molecular FormulaC23H23NO4
Molecular Weight377.44 g/mol
Exact Mass377.16
IUPAC Name3-[2-(4-naphthalen-1-yloxyphenyl)morpholin-4-yl]propanoic acid
SMILESO=C(O)CCN1CCOC(c2ccc(Oc3cccc4ccccc34)cc2)C1
InChIInChI=1S/C23H23NO4/c25-23(26)12-13-24-14-15-27-22(16-24)18-8-10-19(11-9-18)28-21-7-3-5-17-4-1-2-6-20(17)21/h1-11,22H,12-16H2,(H,25,26)
InChIKeyJZSISRLCKVNHQS-UHFFFAOYSA-N
XLogP4.48
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(4-phenoxyphenyl)morpholin-4-yl]propanoic acid;hydrochloride
CID 66654044
3-[2-[4-(2-methoxyphenoxy)phenyl]morpholin-4-yl]propanoic acid;hydrochloride
CID 66653995
3-(2-phenylmorpholin-4-yl)propanoic acid
CID 119134654
3-[2-(4-pyrimidin-2-yloxyphenyl)morpholin-4-yl]propanoic acid;hydrochloride
CID 56597202
3-[2-[4-(2-naphthalen-2-yloxyethoxy)phenyl]morpholin-4-yl]propanoic acid;2,2,2-trifluoroacetic acid
CID 67032568
3-[2-[4-(benzenesulfonyl)phenyl]morpholin-4-yl]propanoic acid
CID 56599119
3-[2-[4-[(2,6-dichlorophenoxy)methyl]phenyl]morpholin-4-yl]propanoic acid
CID 51001962
3-[(2R)-2-[4-(5-oxohexoxy)phenyl]morpholin-4-yl]propanoic acid
CID 124564116
3-[(2S)-2-(4-heptoxyphenyl)morpholin-4-yl]propanoic acid
CID 124564158
3-[(2R)-2-(4-heptoxyphenyl)morpholin-4-yl]propanoic acid
CID 124564157
3-[2-[4-[(2-chloro-3-methylphenyl)methoxy]phenyl]morpholin-4-yl]propanoic acid
CID 67032676
3-[2-(4-hex-5-ynoxyphenyl)morpholin-4-yl]propanoic acid
CID 51002386

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-naphthalen-1-yloxyphenyl)morpholin-4-yl]propanoic acid?
The IUPAC name of 3-[2-(4-naphthalen-1-yloxyphenyl)morpholin-4-yl]propanoic acid (CID 56597204) is 3-[2-(4-naphthalen-1-yloxyphenyl)morpholin-4-yl]propanoic acid.
What is the SMILES notation for 3-[2-(4-naphthalen-1-yloxyphenyl)morpholin-4-yl]propanoic acid?
The canonical SMILES for 3-[2-(4-naphthalen-1-yloxyphenyl)morpholin-4-yl]propanoic acid is O=C(O)CCN1CCOC(c2ccc(Oc3cccc4ccccc34)cc2)C1.
What is the InChIKey of 3-[2-(4-naphthalen-1-yloxyphenyl)morpholin-4-yl]propanoic acid?
The InChIKey is JZSISRLCKVNHQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO4/c25-23(26)12-13-24-14-15-27-22(16-24)18-8-10-19(11-9-18)28-21-7-3-5-17-4-1-2-6-20(17)21/h1-11,22H,12-16H2,(H,25,26).
What are the key properties of 3-[2-(4-naphthalen-1-yloxyphenyl)morpholin-4-yl]propanoic acid?
3-[2-(4-naphthalen-1-yloxyphenyl)morpholin-4-yl]propanoic acid has a molecular weight of 377.44 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-naphthalen-1-yloxyphenyl)morpholin-4-yl]propanoic acid is sourced from PubChem (CID 56597204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).