3-[(2R)-2-(4-heptoxyphenyl)morpholin-4-yl]propanoic acid

C20H31NO4 — CID 124564157

IUPAC3-[(2R)-2-(4-heptoxyphenyl)morpholin-4-yl]propanoic acid
SMILESCCCCCCCOc1ccc([C@@H]2CN(CCC(=O)O)CCO2)cc1
InChIInChI=1S/C20H31NO4/c1-2-3-4-5-6-14-24-18-9-7-17(8-10-18)19-16-21(13-15-25-19)12-11-20(22)23/h7-10,19H,2-6,11-16H2,1H3,(H,22,23)/t19-/m0/s1
InChIKeyYZCGFNKJKUTPQV-IBGZPJMESA-N
MW349.47 g/mol
LogP3.88
Rot. Bonds11

About 3-[(2R)-2-(4-heptoxyphenyl)morpholin-4-yl]propanoic acid

3-[(2R)-2-(4-heptoxyphenyl)morpholin-4-yl]propanoic acid (PubChem CID 124564157) has the molecular formula C20H31NO4 and a molecular weight of 349.47 g/mol. Its IUPAC name is 3-[(2R)-2-(4-heptoxyphenyl)morpholin-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[(2R)-2-(4-heptoxyphenyl)morpholin-4-yl]propanoic acid
PubChem CID124564157
Molecular FormulaC20H31NO4
Molecular Weight349.47 g/mol
Exact Mass349.23
IUPAC Name3-[(2R)-2-(4-heptoxyphenyl)morpholin-4-yl]propanoic acid
SMILESCCCCCCCOc1ccc([C@@H]2CN(CCC(=O)O)CCO2)cc1
InChIInChI=1S/C20H31NO4/c1-2-3-4-5-6-14-24-18-9-7-17(8-10-18)19-16-21(13-15-25-19)12-11-20(22)23/h7-10,19H,2-6,11-16H2,1H3,(H,22,23)/t19-/m0/s1
InChIKeyYZCGFNKJKUTPQV-IBGZPJMESA-N
XLogP3.88
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.47
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(5-oxohexoxy)phenyl]morpholin-4-yl]propanoic acid
CID 124564116
3-[2-(4-hex-5-ynoxyphenyl)morpholin-4-yl]propanoic acid
CID 51002386
2-[2-(4-butoxyphenyl)morpholin-4-yl]ethanol;hydrochloride
CID 141298267
butan-2-yloxy-[3-[2-(4-octoxyphenyl)morpholin-4-yl]propyl]phosphinic acid
CID 87243640
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-5-propylphenyl)methoxy]phenyl]morpholin-4-yl]propanoic acid;hydrochloride
CID 67032565

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-2-(4-heptoxyphenyl)morpholin-4-yl]propanoic acid?
The IUPAC name of 3-[(2R)-2-(4-heptoxyphenyl)morpholin-4-yl]propanoic acid (CID 124564157) is 3-[(2R)-2-(4-heptoxyphenyl)morpholin-4-yl]propanoic acid.
What is the SMILES notation for 3-[(2R)-2-(4-heptoxyphenyl)morpholin-4-yl]propanoic acid?
The canonical SMILES for 3-[(2R)-2-(4-heptoxyphenyl)morpholin-4-yl]propanoic acid is CCCCCCCOc1ccc([C@@H]2CN(CCC(=O)O)CCO2)cc1.
What is the InChIKey of 3-[(2R)-2-(4-heptoxyphenyl)morpholin-4-yl]propanoic acid?
The InChIKey is YZCGFNKJKUTPQV-IBGZPJMESA-N. The full InChI is InChI=1S/C20H31NO4/c1-2-3-4-5-6-14-24-18-9-7-17(8-10-18)19-16-21(13-15-25-19)12-11-20(22)23/h7-10,19H,2-6,11-16H2,1H3,(H,22,23)/t19-/m0/s1.
What are the key properties of 3-[(2R)-2-(4-heptoxyphenyl)morpholin-4-yl]propanoic acid?
3-[(2R)-2-(4-heptoxyphenyl)morpholin-4-yl]propanoic acid has a molecular weight of 349.47 g/mol, XLogP of 3.88, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-2-(4-heptoxyphenyl)morpholin-4-yl]propanoic acid is sourced from PubChem (CID 124564157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).