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

C14H17NO4 — CID 117009368

IUPAC2-[4-(3-acetylphenyl)morpholin-3-yl]acetic acid
SMILESCC(=O)c1cccc(N2CCOCC2CC(=O)O)c1
InChIInChI=1S/C14H17NO4/c1-10(16)11-3-2-4-12(7-11)15-5-6-19-9-13(15)8-14(17)18/h2-4,7,13H,5-6,8-9H2,1H3,(H,17,18)
InChIKeyFXRHIDCEFKMNLX-UHFFFAOYSA-N
MW263.29 g/mol
LogP1.57
Rot. Bonds4

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

2-[4-(3-acetylphenyl)morpholin-3-yl]acetic acid (PubChem CID 117009368) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is 2-[4-(3-acetylphenyl)morpholin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(3-acetylphenyl)morpholin-3-yl]acetic acid
PubChem CID117009368
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name2-[4-(3-acetylphenyl)morpholin-3-yl]acetic acid
SMILESCC(=O)c1cccc(N2CCOCC2CC(=O)O)c1
InChIInChI=1S/C14H17NO4/c1-10(16)11-3-2-4-12(7-11)15-5-6-19-9-13(15)8-14(17)18/h2-4,7,13H,5-6,8-9H2,1H3,(H,17,18)
InChIKeyFXRHIDCEFKMNLX-UHFFFAOYSA-N
XLogP1.57
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4-acetylphenyl)morpholin-3-yl]acetic acid
CID 117009369
2-[4-(4-methylphenyl)morpholin-3-yl]acetic acid
CID 117009339
1-[3-[2-(hydroxymethyl)pyrrolidin-1-yl]phenyl]ethanone
CID 117028425
2-[4-(2-ethyl-6-methylphenyl)morpholin-3-yl]acetic acid
CID 117009348
4-(3-methoxycarbonylphenyl)morpholine-3-carboxylic acid
CID 117009158
3-[4-(3-fluorophenyl)morpholin-3-yl]propanoic acid
CID 117009424
3-[3-(trifluoromethyl)morpholin-4-yl]benzoic acid
CID 174551516
2-[4-(2-propan-2-ylphenyl)morpholin-3-yl]acetic acid
CID 117009349
2-[4-(4-bromo-2-methylphenyl)morpholin-3-yl]acetic acid
CID 117009374
1-[3-[2-(aminomethyl)aziridin-1-yl]phenyl]ethanone
CID 117010112
3-ethyl-4-phenylmorpholine
CID 154695616
(4-phenylmorpholin-3-yl)methanol
CID 91802000

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-acetylphenyl)morpholin-3-yl]acetic acid?
The IUPAC name of 2-[4-(3-acetylphenyl)morpholin-3-yl]acetic acid (CID 117009368) is 2-[4-(3-acetylphenyl)morpholin-3-yl]acetic acid.
What is the SMILES notation for 2-[4-(3-acetylphenyl)morpholin-3-yl]acetic acid?
The canonical SMILES for 2-[4-(3-acetylphenyl)morpholin-3-yl]acetic acid is CC(=O)c1cccc(N2CCOCC2CC(=O)O)c1.
What is the InChIKey of 2-[4-(3-acetylphenyl)morpholin-3-yl]acetic acid?
The InChIKey is FXRHIDCEFKMNLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-10(16)11-3-2-4-12(7-11)15-5-6-19-9-13(15)8-14(17)18/h2-4,7,13H,5-6,8-9H2,1H3,(H,17,18).
What are the key properties of 2-[4-(3-acetylphenyl)morpholin-3-yl]acetic acid?
2-[4-(3-acetylphenyl)morpholin-3-yl]acetic acid has a molecular weight of 263.29 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-acetylphenyl)morpholin-3-yl]acetic acid is sourced from PubChem (CID 117009368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).