2-[4-(2-phenoxyacetyl)morpholin-2-yl]acetic acid

C14H17NO5 — CID 66421533

IUPAC2-[4-(2-phenoxyacetyl)morpholin-2-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)COc2ccccc2)CCO1
InChIInChI=1S/C14H17NO5/c16-13(10-20-11-4-2-1-3-5-11)15-6-7-19-12(9-15)8-14(17)18/h1-5,12H,6-10H2,(H,17,18)
InChIKeyWSSBDIDYNKTUFB-UHFFFAOYSA-N
MW279.29 g/mol
LogP0.77
Rot. Bonds5

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

2-[4-(2-phenoxyacetyl)morpholin-2-yl]acetic acid (PubChem CID 66421533) has the molecular formula C14H17NO5 and a molecular weight of 279.29 g/mol. Its IUPAC name is 2-[4-(2-phenoxyacetyl)morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2-phenoxyacetyl)morpholin-2-yl]acetic acid
PubChem CID66421533
Molecular FormulaC14H17NO5
Molecular Weight279.29 g/mol
Exact Mass279.11
IUPAC Name2-[4-(2-phenoxyacetyl)morpholin-2-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)COc2ccccc2)CCO1
InChIInChI=1S/C14H17NO5/c16-13(10-20-11-4-2-1-3-5-11)15-6-7-19-12(9-15)8-14(17)18/h1-5,12H,6-10H2,(H,17,18)
InChIKeyWSSBDIDYNKTUFB-UHFFFAOYSA-N
XLogP0.77
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-phenoxycarbonylmorpholin-2-yl)acetic acid
CID 66435355
2-[4-(3-phenylpropanoyl)morpholin-2-yl]acetic acid
CID 66422337
2-[(2R)-4-[2-(4-chloro-2-methylphenoxy)acetyl]morpholin-2-yl]acetic acid
CID 125118700
2-(4-aminophenoxy)-1-[2-(hydroxymethyl)morpholin-4-yl]ethanone
CID 81205392
2-[4-[2-(2-methylphenyl)acetyl]morpholin-2-yl]acetic acid
CID 66421746
2-[4-(3-phenylprop-2-ynoyl)morpholin-2-yl]acetic acid
CID 66433018
2-(4-methylphenoxy)-1-[(2S)-2-[(4-methylphenoxy)methyl]morpholin-4-yl]ethanone
CID 92757449
1-[(2S)-2-(aminomethyl)morpholin-4-yl]-2-(4-chlorophenoxy)ethanone
CID 42252620
2-[4-[2-[4-(2-methylpropoxy)phenyl]acetyl]morpholin-2-yl]acetic acid
CID 119247660
2-[4-[2-(4-methoxyphenyl)acetyl]morpholin-2-yl]acetic acid
CID 66434960
2-[(2S)-4-[3-(2-ethoxyphenyl)propanoyl]morpholin-2-yl]acetic acid
CID 125147522
1-(aziridin-1-yl)-2-phenoxyethanone
CID 3053844

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-phenoxyacetyl)morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-(2-phenoxyacetyl)morpholin-2-yl]acetic acid (CID 66421533) is 2-[4-(2-phenoxyacetyl)morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-(2-phenoxyacetyl)morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-(2-phenoxyacetyl)morpholin-2-yl]acetic acid is O=C(O)CC1CN(C(=O)COc2ccccc2)CCO1.
What is the InChIKey of 2-[4-(2-phenoxyacetyl)morpholin-2-yl]acetic acid?
The InChIKey is WSSBDIDYNKTUFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO5/c16-13(10-20-11-4-2-1-3-5-11)15-6-7-19-12(9-15)8-14(17)18/h1-5,12H,6-10H2,(H,17,18).
What are the key properties of 2-[4-(2-phenoxyacetyl)morpholin-2-yl]acetic acid?
2-[4-(2-phenoxyacetyl)morpholin-2-yl]acetic acid has a molecular weight of 279.29 g/mol, XLogP of 0.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-phenoxyacetyl)morpholin-2-yl]acetic acid is sourced from PubChem (CID 66421533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).