3-[2-[4-(2-methoxyphenoxy)phenyl]morpholin-4-yl]propanoic acid;hydrochloride

C20H24ClNO5 — CID 66653995

IUPAC3-[2-[4-(2-methoxyphenoxy)phenyl]morpholin-4-yl]propanoic acid;hydrochloride
SMILESCOc1ccccc1Oc1ccc(C2CN(CCC(=O)O)CCO2)cc1.Cl
InChIInChI=1S/C20H23NO5.ClH/c1-24-17-4-2-3-5-18(17)26-16-8-6-15(7-9-16)19-14-21(12-13-25-19)11-10-20(22)23;/h2-9,19H,10-14H2,1H3,(H,22,23);1H
InChIKeyRABYEBJBZZXJFW-UHFFFAOYSA-N
MW393.87 g/mol
LogP3.76
Rot. Bonds7

About 3-[2-[4-(2-methoxyphenoxy)phenyl]morpholin-4-yl]propanoic acid;hydrochloride

3-[2-[4-(2-methoxyphenoxy)phenyl]morpholin-4-yl]propanoic acid;hydrochloride (PubChem CID 66653995) has the molecular formula C20H24ClNO5 and a molecular weight of 393.87 g/mol. Its IUPAC name is 3-[2-[4-(2-methoxyphenoxy)phenyl]morpholin-4-yl]propanoic acid;hydrochloride.

Molecular Properties

Compound Name3-[2-[4-(2-methoxyphenoxy)phenyl]morpholin-4-yl]propanoic acid;hydrochloride
PubChem CID66653995
Molecular FormulaC20H24ClNO5
Molecular Weight393.87 g/mol
Exact Mass393.13
IUPAC Name3-[2-[4-(2-methoxyphenoxy)phenyl]morpholin-4-yl]propanoic acid;hydrochloride
SMILESCOc1ccccc1Oc1ccc(C2CN(CCC(=O)O)CCO2)cc1.Cl
InChIInChI=1S/C20H23NO5.ClH/c1-24-17-4-2-3-5-18(17)26-16-8-6-15(7-9-16)19-14-21(12-13-25-19)11-10-20(22)23;/h2-9,19H,10-14H2,1H3,(H,22,23);1H
InChIKeyRABYEBJBZZXJFW-UHFFFAOYSA-N
XLogP3.76
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.87
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(4-phenoxyphenyl)morpholin-4-yl]propanoic acid;hydrochloride
CID 66654044
3-[2-(4-naphthalen-1-yloxyphenyl)morpholin-4-yl]propanoic acid
CID 56597204
3-[2-(4-pyrimidin-2-yloxyphenyl)morpholin-4-yl]propanoic acid;hydrochloride
CID 56597202
3-(2-phenylmorpholin-4-yl)propanoic acid
CID 119134654
3-[(2S)-2-(4-heptoxyphenyl)morpholin-4-yl]propanoic acid
CID 124564158
3-[(2R)-2-[4-(5-oxohexoxy)phenyl]morpholin-4-yl]propanoic acid
CID 124564116
3-[(2R)-2-(4-heptoxyphenyl)morpholin-4-yl]propanoic acid
CID 124564157
3-[2-[4-(benzenesulfonyl)phenyl]morpholin-4-yl]propanoic acid
CID 56599119
3-[2-(4-fluorophenyl)morpholin-4-yl]-N-(2-methoxyphenyl)propanamide
CID 43065717
3-[2-(4-hex-5-ynoxyphenyl)morpholin-4-yl]propanoic acid
CID 51002386
3-[2-[4-(4-methylphenyl)sulfanylphenyl]morpholin-4-yl]propanoic acid;hydrochloride
CID 66653953
3-[2-[3-methoxy-4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]morpholin-4-yl]propanoic acid;hydrochloride
CID 67032631

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(2-methoxyphenoxy)phenyl]morpholin-4-yl]propanoic acid;hydrochloride?
The IUPAC name of 3-[2-[4-(2-methoxyphenoxy)phenyl]morpholin-4-yl]propanoic acid;hydrochloride (CID 66653995) is 3-[2-[4-(2-methoxyphenoxy)phenyl]morpholin-4-yl]propanoic acid;hydrochloride.
What is the SMILES notation for 3-[2-[4-(2-methoxyphenoxy)phenyl]morpholin-4-yl]propanoic acid;hydrochloride?
The canonical SMILES for 3-[2-[4-(2-methoxyphenoxy)phenyl]morpholin-4-yl]propanoic acid;hydrochloride is COc1ccccc1Oc1ccc(C2CN(CCC(=O)O)CCO2)cc1.Cl.
What is the InChIKey of 3-[2-[4-(2-methoxyphenoxy)phenyl]morpholin-4-yl]propanoic acid;hydrochloride?
The InChIKey is RABYEBJBZZXJFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO5.ClH/c1-24-17-4-2-3-5-18(17)26-16-8-6-15(7-9-16)19-14-21(12-13-25-19)11-10-20(22)23;/h2-9,19H,10-14H2,1H3,(H,22,23);1H.
What are the key properties of 3-[2-[4-(2-methoxyphenoxy)phenyl]morpholin-4-yl]propanoic acid;hydrochloride?
3-[2-[4-(2-methoxyphenoxy)phenyl]morpholin-4-yl]propanoic acid;hydrochloride has a molecular weight of 393.87 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(2-methoxyphenoxy)phenyl]morpholin-4-yl]propanoic acid;hydrochloride is sourced from PubChem (CID 66653995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).