4-[1-[4-(2-methylpropyl)phenyl]ethyl]morpholine-2-carboxylic acid

C17H25NO3 — CID 65067615

IUPAC4-[1-[4-(2-methylpropyl)phenyl]ethyl]morpholine-2-carboxylic acid
SMILESCC(C)Cc1ccc(C(C)N2CCOC(C(=O)O)C2)cc1
InChIInChI=1S/C17H25NO3/c1-12(2)10-14-4-6-15(7-5-14)13(3)18-8-9-21-16(11-18)17(19)20/h4-7,12-13,16H,8-11H2,1-3H3,(H,19,20)
InChIKeyIOAFZOWGEZYWQW-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.73
Rot. Bonds5

About 4-[1-[4-(2-methylpropyl)phenyl]ethyl]morpholine-2-carboxylic acid

4-[1-[4-(2-methylpropyl)phenyl]ethyl]morpholine-2-carboxylic acid (PubChem CID 65067615) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 4-[1-[4-(2-methylpropyl)phenyl]ethyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-[1-[4-(2-methylpropyl)phenyl]ethyl]morpholine-2-carboxylic acid
PubChem CID65067615
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name4-[1-[4-(2-methylpropyl)phenyl]ethyl]morpholine-2-carboxylic acid
SMILESCC(C)Cc1ccc(C(C)N2CCOC(C(=O)O)C2)cc1
InChIInChI=1S/C17H25NO3/c1-12(2)10-14-4-6-15(7-5-14)13(3)18-8-9-21-16(11-18)17(19)20/h4-7,12-13,16H,8-11H2,1-3H3,(H,19,20)
InChIKeyIOAFZOWGEZYWQW-UHFFFAOYSA-N
XLogP2.73
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-(4-tert-butylphenyl)ethyl]morpholine-2-carboxylic acid
CID 65067070
(2S)-4-[(1R)-1-(4-tert-butylphenyl)ethyl]morpholine-2-carboxylic acid
CID 129371945
4-[1-(3,4-difluorophenyl)ethyl]morpholine-2-carboxylic acid
CID 65067562
cyclopropyl-[(2R)-4-[(1S)-1-(4-propan-2-ylphenyl)ethyl]morpholin-2-yl]methanone
CID 124737738
phenyl-[(2R)-4-[(1S)-1-phenylethyl]morpholin-2-yl]methanone
CID 71094651
4-[1-(4-methyl-3-nitrophenyl)ethyl]morpholine-2-carboxylic acid
CID 65067117
4-[1-(2-fluorophenyl)ethyl]morpholine-2-carboxylic acid
CID 65067273
4-(1-phenylpropyl)morpholine-2-carboxylic acid
CID 65067366
4-(1-phenylbutyl)morpholine-2-carboxylic acid
CID 65067118
4-[1-(1,3-dimethylpyrazol-4-yl)ethyl]morpholine-2-carboxylic acid
CID 65197311
1-[1-[4-[5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]ethyl]azetidine-3-carboxylic acid
CID 10363916
[(2R)-4-[(1R)-1-(4-propan-2-ylphenyl)ethyl]morpholin-2-yl]methanol
CID 99108798

Frequently Asked Questions

What is the IUPAC name of 4-[1-[4-(2-methylpropyl)phenyl]ethyl]morpholine-2-carboxylic acid?
The IUPAC name of 4-[1-[4-(2-methylpropyl)phenyl]ethyl]morpholine-2-carboxylic acid (CID 65067615) is 4-[1-[4-(2-methylpropyl)phenyl]ethyl]morpholine-2-carboxylic acid.
What is the SMILES notation for 4-[1-[4-(2-methylpropyl)phenyl]ethyl]morpholine-2-carboxylic acid?
The canonical SMILES for 4-[1-[4-(2-methylpropyl)phenyl]ethyl]morpholine-2-carboxylic acid is CC(C)Cc1ccc(C(C)N2CCOC(C(=O)O)C2)cc1.
What is the InChIKey of 4-[1-[4-(2-methylpropyl)phenyl]ethyl]morpholine-2-carboxylic acid?
The InChIKey is IOAFZOWGEZYWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-12(2)10-14-4-6-15(7-5-14)13(3)18-8-9-21-16(11-18)17(19)20/h4-7,12-13,16H,8-11H2,1-3H3,(H,19,20).
What are the key properties of 4-[1-[4-(2-methylpropyl)phenyl]ethyl]morpholine-2-carboxylic acid?
4-[1-[4-(2-methylpropyl)phenyl]ethyl]morpholine-2-carboxylic acid has a molecular weight of 291.39 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[4-(2-methylpropyl)phenyl]ethyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 65067615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).