2-[4-(2-propan-2-ylphenyl)morpholin-3-yl]acetic acid

C15H21NO3 — CID 117009349

IUPAC2-[4-(2-propan-2-ylphenyl)morpholin-3-yl]acetic acid
SMILESCC(C)c1ccccc1N1CCOCC1CC(=O)O
InChIInChI=1S/C15H21NO3/c1-11(2)13-5-3-4-6-14(13)16-7-8-19-10-12(16)9-15(17)18/h3-6,11-12H,7-10H2,1-2H3,(H,17,18)
InChIKeyAAYPSFMKOYCWKZ-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.49
Rot. Bonds4

About 2-[4-(2-propan-2-ylphenyl)morpholin-3-yl]acetic acid

2-[4-(2-propan-2-ylphenyl)morpholin-3-yl]acetic acid (PubChem CID 117009349) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[4-(2-propan-2-ylphenyl)morpholin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2-propan-2-ylphenyl)morpholin-3-yl]acetic acid
PubChem CID117009349
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name2-[4-(2-propan-2-ylphenyl)morpholin-3-yl]acetic acid
SMILESCC(C)c1ccccc1N1CCOCC1CC(=O)O
InChIInChI=1S/C15H21NO3/c1-11(2)13-5-3-4-6-14(13)16-7-8-19-10-12(16)9-15(17)18/h3-6,11-12H,7-10H2,1-2H3,(H,17,18)
InChIKeyAAYPSFMKOYCWKZ-UHFFFAOYSA-N
XLogP2.49
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(4-methylphenyl)morpholin-3-yl]acetic acid
CID 117009339
2-[4-(4-bromo-2-methylphenyl)morpholin-3-yl]acetic acid
CID 117009374
3-[4-(2-ethylphenyl)morpholin-3-yl]propanoic acid
CID 117009412
2-[4-(4-acetylphenyl)morpholin-3-yl]acetic acid
CID 117009369
2-[4-(2-ethyl-6-methylphenyl)morpholin-3-yl]acetic acid
CID 117009348
2-[4-(3-acetylphenyl)morpholin-3-yl]acetic acid
CID 117009368
1-[2-(3-methylmorpholin-4-yl)phenyl]ethanol
CID 43542345
1-[2-[(3R)-3-ethylmorpholin-4-yl]phenyl]ethanone
CID 5325728
2-[(3R)-4-(3,3-diphenylpropanoyl)morpholin-3-yl]acetic acid
CID 129469743
2-[4-(2-ethylphenyl)morpholin-3-yl]ethanol
CID 117009287
[4-(2-chlorophenyl)morpholin-3-yl]methanol
CID 117009212
4-[2-(bromomethyl)phenyl]-3-ethylmorpholine
CID 107080607

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-propan-2-ylphenyl)morpholin-3-yl]acetic acid?
The IUPAC name of 2-[4-(2-propan-2-ylphenyl)morpholin-3-yl]acetic acid (CID 117009349) is 2-[4-(2-propan-2-ylphenyl)morpholin-3-yl]acetic acid.
What is the SMILES notation for 2-[4-(2-propan-2-ylphenyl)morpholin-3-yl]acetic acid?
The canonical SMILES for 2-[4-(2-propan-2-ylphenyl)morpholin-3-yl]acetic acid is CC(C)c1ccccc1N1CCOCC1CC(=O)O.
What is the InChIKey of 2-[4-(2-propan-2-ylphenyl)morpholin-3-yl]acetic acid?
The InChIKey is AAYPSFMKOYCWKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-11(2)13-5-3-4-6-14(13)16-7-8-19-10-12(16)9-15(17)18/h3-6,11-12H,7-10H2,1-2H3,(H,17,18).
What are the key properties of 2-[4-(2-propan-2-ylphenyl)morpholin-3-yl]acetic acid?
2-[4-(2-propan-2-ylphenyl)morpholin-3-yl]acetic acid has a molecular weight of 263.34 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-propan-2-ylphenyl)morpholin-3-yl]acetic acid is sourced from PubChem (CID 117009349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).