3-[(2R)-2-[4-(5-oxohexoxy)phenyl]morpholin-4-yl]propanoic acid

C19H27NO5 — CID 124564116

IUPAC3-[(2R)-2-[4-(5-oxohexoxy)phenyl]morpholin-4-yl]propanoic acid
SMILESCC(=O)CCCCOc1ccc([C@@H]2CN(CCC(=O)O)CCO2)cc1
InChIInChI=1S/C19H27NO5/c1-15(21)4-2-3-12-24-17-7-5-16(6-8-17)18-14-20(11-13-25-18)10-9-19(22)23/h5-8,18H,2-4,9-14H2,1H3,(H,22,23)/t18-/m0/s1
InChIKeyTZPADXSPNQSYQY-SFHVURJKSA-N
MW349.43 g/mol
LogP2.67
Rot. Bonds10

About 3-[(2R)-2-[4-(5-oxohexoxy)phenyl]morpholin-4-yl]propanoic acid

3-[(2R)-2-[4-(5-oxohexoxy)phenyl]morpholin-4-yl]propanoic acid (PubChem CID 124564116) has the molecular formula C19H27NO5 and a molecular weight of 349.43 g/mol. Its IUPAC name is 3-[(2R)-2-[4-(5-oxohexoxy)phenyl]morpholin-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[(2R)-2-[4-(5-oxohexoxy)phenyl]morpholin-4-yl]propanoic acid
PubChem CID124564116
Molecular FormulaC19H27NO5
Molecular Weight349.43 g/mol
Exact Mass349.19
IUPAC Name3-[(2R)-2-[4-(5-oxohexoxy)phenyl]morpholin-4-yl]propanoic acid
SMILESCC(=O)CCCCOc1ccc([C@@H]2CN(CCC(=O)O)CCO2)cc1
InChIInChI=1S/C19H27NO5/c1-15(21)4-2-3-12-24-17-7-5-16(6-8-17)18-14-20(11-13-25-18)10-9-19(22)23/h5-8,18H,2-4,9-14H2,1H3,(H,22,23)/t18-/m0/s1
InChIKeyTZPADXSPNQSYQY-SFHVURJKSA-N
XLogP2.67
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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-hex-5-ynoxyphenyl)morpholin-4-yl]propanoic acid
CID 51002386
3-[2-(4-phenoxyphenyl)morpholin-4-yl]propanoic acid;hydrochloride
CID 66654044
3-(2-phenylmorpholin-4-yl)propanoic acid
CID 119134654
3-[2-[4-(2-methoxyphenoxy)phenyl]morpholin-4-yl]propanoic acid;hydrochloride
CID 66653995
3-[2-[4-(2-naphthalen-2-yloxyethoxy)phenyl]morpholin-4-yl]propanoic acid;2,2,2-trifluoroacetic acid
CID 67032568
3-[2-(4-pyrimidin-2-yloxyphenyl)morpholin-4-yl]propanoic acid;hydrochloride
CID 56597202
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
2-[2-(4-butoxyphenyl)morpholin-4-yl]ethanol;hydrochloride
CID 141298267
3-[2-[4-[3-(4-chlorophenyl)propoxy]phenyl]morpholin-4-yl]propanoyl chloride
CID 142765989

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-2-[4-(5-oxohexoxy)phenyl]morpholin-4-yl]propanoic acid?
The IUPAC name of 3-[(2R)-2-[4-(5-oxohexoxy)phenyl]morpholin-4-yl]propanoic acid (CID 124564116) is 3-[(2R)-2-[4-(5-oxohexoxy)phenyl]morpholin-4-yl]propanoic acid.
What is the SMILES notation for 3-[(2R)-2-[4-(5-oxohexoxy)phenyl]morpholin-4-yl]propanoic acid?
The canonical SMILES for 3-[(2R)-2-[4-(5-oxohexoxy)phenyl]morpholin-4-yl]propanoic acid is CC(=O)CCCCOc1ccc([C@@H]2CN(CCC(=O)O)CCO2)cc1.
What is the InChIKey of 3-[(2R)-2-[4-(5-oxohexoxy)phenyl]morpholin-4-yl]propanoic acid?
The InChIKey is TZPADXSPNQSYQY-SFHVURJKSA-N. The full InChI is InChI=1S/C19H27NO5/c1-15(21)4-2-3-12-24-17-7-5-16(6-8-17)18-14-20(11-13-25-18)10-9-19(22)23/h5-8,18H,2-4,9-14H2,1H3,(H,22,23)/t18-/m0/s1.
What are the key properties of 3-[(2R)-2-[4-(5-oxohexoxy)phenyl]morpholin-4-yl]propanoic acid?
3-[(2R)-2-[4-(5-oxohexoxy)phenyl]morpholin-4-yl]propanoic acid has a molecular weight of 349.43 g/mol, XLogP of 2.67, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-2-[4-(5-oxohexoxy)phenyl]morpholin-4-yl]propanoic acid is sourced from PubChem (CID 124564116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).