2-morpholin-4-yl-2-(4-propan-2-yloxyphenyl)propanoic acid

C16H23NO4 — CID 43803260

IUPAC2-morpholin-4-yl-2-(4-propan-2-yloxyphenyl)propanoic acid
SMILESCC(C)Oc1ccc(C(C)(C(=O)O)N2CCOCC2)cc1
InChIInChI=1S/C16H23NO4/c1-12(2)21-14-6-4-13(5-7-14)16(3,15(18)19)17-8-10-20-11-9-17/h4-7,12H,8-11H2,1-3H3,(H,18,19)
InChIKeyWCGTVRRQOCGCAZ-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.11
Rot. Bonds5

About 2-morpholin-4-yl-2-(4-propan-2-yloxyphenyl)propanoic acid

2-morpholin-4-yl-2-(4-propan-2-yloxyphenyl)propanoic acid (PubChem CID 43803260) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 2-morpholin-4-yl-2-(4-propan-2-yloxyphenyl)propanoic acid.

Molecular Properties

Compound Name2-morpholin-4-yl-2-(4-propan-2-yloxyphenyl)propanoic acid
PubChem CID43803260
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name2-morpholin-4-yl-2-(4-propan-2-yloxyphenyl)propanoic acid
SMILESCC(C)Oc1ccc(C(C)(C(=O)O)N2CCOCC2)cc1
InChIInChI=1S/C16H23NO4/c1-12(2)21-14-6-4-13(5-7-14)16(3,15(18)19)17-8-10-20-11-9-17/h4-7,12H,8-11H2,1-3H3,(H,18,19)
InChIKeyWCGTVRRQOCGCAZ-UHFFFAOYSA-N
XLogP2.11
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-hydroxy-3-methoxyphenyl)-2-morpholin-4-ylpropanoic acid
CID 43803253
2-(3-hydroxyphenyl)-2-morpholin-4-ylpropanoic acid
CID 43803297
3-hydroxy-2,2-dimethyl-3-(4-propan-2-yloxyphenyl)butanoic acid
CID 55071473
2-amino-2-(4-propan-2-yloxyphenyl)propanoic acid
CID 24692906
2-methyl-1-(4-morpholin-4-ylphenyl)-1-(4-propan-2-yloxyphenyl)prop-2-en-1-ol
CID 142243547
3-(4-propan-2-yloxyphenyl)-3-pyrrolidin-1-ylbutanoic acid
CID 64526180
3-morpholin-4-yl-1-(4-propan-2-yloxyphenyl)propan-1-one;hydrochloride
CID 52997518
2-(4-ethoxyphenyl)-2-(4-methylpiperazin-1-yl)propanoic acid
CID 61343282
N-(2-morpholin-4-ylethyl)-4-propan-2-yloxybenzamide
CID 6471257
(3S)-4-methyl-1-morpholin-4-yl-3-(4-propan-2-yloxyphenyl)pentan-1-one
CID 951243
2-(2,4-dimethylphenyl)-2-morpholin-4-ylpropanoic acid
CID 43803249
N-(2-methyl-2-morpholin-4-ylpropyl)-2-phenoxypropanamide
CID 51163418

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-2-(4-propan-2-yloxyphenyl)propanoic acid?
The IUPAC name of 2-morpholin-4-yl-2-(4-propan-2-yloxyphenyl)propanoic acid (CID 43803260) is 2-morpholin-4-yl-2-(4-propan-2-yloxyphenyl)propanoic acid.
What is the SMILES notation for 2-morpholin-4-yl-2-(4-propan-2-yloxyphenyl)propanoic acid?
The canonical SMILES for 2-morpholin-4-yl-2-(4-propan-2-yloxyphenyl)propanoic acid is CC(C)Oc1ccc(C(C)(C(=O)O)N2CCOCC2)cc1.
What is the InChIKey of 2-morpholin-4-yl-2-(4-propan-2-yloxyphenyl)propanoic acid?
The InChIKey is WCGTVRRQOCGCAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-12(2)21-14-6-4-13(5-7-14)16(3,15(18)19)17-8-10-20-11-9-17/h4-7,12H,8-11H2,1-3H3,(H,18,19).
What are the key properties of 2-morpholin-4-yl-2-(4-propan-2-yloxyphenyl)propanoic acid?
2-morpholin-4-yl-2-(4-propan-2-yloxyphenyl)propanoic acid has a molecular weight of 293.36 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-2-(4-propan-2-yloxyphenyl)propanoic acid is sourced from PubChem (CID 43803260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).