4-[2-(3-methoxyphenoxy)acetyl]morpholine-3-carboxylic acid

C14H17NO6 — CID 119216678

IUPAC4-[2-(3-methoxyphenoxy)acetyl]morpholine-3-carboxylic acid
SMILESCOc1cccc(OCC(=O)N2CCOCC2C(=O)O)c1
InChIInChI=1S/C14H17NO6/c1-19-10-3-2-4-11(7-10)21-9-13(16)15-5-6-20-8-12(15)14(17)18/h2-4,7,12H,5-6,8-9H2,1H3,(H,17,18)
InChIKeyRDCGOPOADIGJKM-UHFFFAOYSA-N
MW295.29 g/mol
LogP0.39
Rot. Bonds5

About 4-[2-(3-methoxyphenoxy)acetyl]morpholine-3-carboxylic acid

4-[2-(3-methoxyphenoxy)acetyl]morpholine-3-carboxylic acid (PubChem CID 119216678) has the molecular formula C14H17NO6 and a molecular weight of 295.29 g/mol. Its IUPAC name is 4-[2-(3-methoxyphenoxy)acetyl]morpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-[2-(3-methoxyphenoxy)acetyl]morpholine-3-carboxylic acid
PubChem CID119216678
Molecular FormulaC14H17NO6
Molecular Weight295.29 g/mol
Exact Mass295.11
IUPAC Name4-[2-(3-methoxyphenoxy)acetyl]morpholine-3-carboxylic acid
SMILESCOc1cccc(OCC(=O)N2CCOCC2C(=O)O)c1
InChIInChI=1S/C14H17NO6/c1-19-10-3-2-4-11(7-10)21-9-13(16)15-5-6-20-8-12(15)14(17)18/h2-4,7,12H,5-6,8-9H2,1H3,(H,17,18)
InChIKeyRDCGOPOADIGJKM-UHFFFAOYSA-N
XLogP0.39
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-1-[2-(3-methoxyphenoxy)acetyl]pyrrolidine-2-carboxylic acid
CID 39165023
(3R)-4-[2-(4-chlorophenoxy)acetyl]morpholine-3-carboxylic acid
CID 124513443
(3S)-4-[3-(3-methylphenoxy)propanoyl]morpholine-3-carboxylic acid
CID 124513528
(3S)-4-[2-(2-methoxy-4-methylphenoxy)acetyl]morpholine-3-carboxylic acid
CID 125149365
(3R)-4-[(2R)-2-[(3-methoxyphenyl)methoxy]propanoyl]morpholine-3-carboxylic acid
CID 125133126
(3S)-4-[4-(4-methoxyphenyl)butanoyl]morpholine-3-carboxylic acid
CID 125133614
2-(3-methoxyphenoxy)-1-[(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]ethanone
CID 135114395
4-[2-(2,6-dimethylphenyl)acetyl]morpholine-3-carboxylic acid
CID 120686802
(3R,3aR,6aR)-2-[2-(3-methoxyphenoxy)acetyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 129469043
(3S)-4-[4-(2-methylphenoxy)butanoyl]morpholine-3-carboxylic acid
CID 125133599
(1R)-2-[2-(3-methoxyphenoxy)acetyl]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid
CID 129467299
(3R)-4-[2-(2-chloro-4-fluorophenoxy)acetyl]morpholine-3-carboxylic acid
CID 124513243

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-methoxyphenoxy)acetyl]morpholine-3-carboxylic acid?
The IUPAC name of 4-[2-(3-methoxyphenoxy)acetyl]morpholine-3-carboxylic acid (CID 119216678) is 4-[2-(3-methoxyphenoxy)acetyl]morpholine-3-carboxylic acid.
What is the SMILES notation for 4-[2-(3-methoxyphenoxy)acetyl]morpholine-3-carboxylic acid?
The canonical SMILES for 4-[2-(3-methoxyphenoxy)acetyl]morpholine-3-carboxylic acid is COc1cccc(OCC(=O)N2CCOCC2C(=O)O)c1.
What is the InChIKey of 4-[2-(3-methoxyphenoxy)acetyl]morpholine-3-carboxylic acid?
The InChIKey is RDCGOPOADIGJKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO6/c1-19-10-3-2-4-11(7-10)21-9-13(16)15-5-6-20-8-12(15)14(17)18/h2-4,7,12H,5-6,8-9H2,1H3,(H,17,18).
What are the key properties of 4-[2-(3-methoxyphenoxy)acetyl]morpholine-3-carboxylic acid?
4-[2-(3-methoxyphenoxy)acetyl]morpholine-3-carboxylic acid has a molecular weight of 295.29 g/mol, XLogP of 0.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-methoxyphenoxy)acetyl]morpholine-3-carboxylic acid is sourced from PubChem (CID 119216678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).