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

C14H19NO4 — CID 102604207

IUPAC2-[2-[(3-methoxyphenyl)methyl]morpholin-4-yl]acetic acid
SMILESCOc1cccc(CC2CN(CC(=O)O)CCO2)c1
InChIInChI=1S/C14H19NO4/c1-18-12-4-2-3-11(7-12)8-13-9-15(5-6-19-13)10-14(16)17/h2-4,7,13H,5-6,8-10H2,1H3,(H,16,17)
InChIKeyFPOMXUUXVDHDEN-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.02
Rot. Bonds5

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

2-[2-[(3-methoxyphenyl)methyl]morpholin-4-yl]acetic acid (PubChem CID 102604207) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[2-[(3-methoxyphenyl)methyl]morpholin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[(3-methoxyphenyl)methyl]morpholin-4-yl]acetic acid
PubChem CID102604207
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name2-[2-[(3-methoxyphenyl)methyl]morpholin-4-yl]acetic acid
SMILESCOc1cccc(CC2CN(CC(=O)O)CCO2)c1
InChIInChI=1S/C14H19NO4/c1-18-12-4-2-3-11(7-12)8-13-9-15(5-6-19-13)10-14(16)17/h2-4,7,13H,5-6,8-10H2,1H3,(H,16,17)
InChIKeyFPOMXUUXVDHDEN-UHFFFAOYSA-N
XLogP1.02
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(3-methoxyphenyl)methyl]morpholin-4-yl]-2-methylsulfanylethanone
CID 45248287
[(2R)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]-pyridin-4-ylmethanone
CID 124999842
(2R)-2-[(3-methoxyphenyl)methyl]-4-(3-methylsulfanylpropyl)morpholine
CID 29257197
2-[(3-methoxyphenyl)methyl]-4-(3-methylsulfanylpropyl)morpholine
CID 45205929
2-[(3-methoxyphenyl)methyl]-4-[(3,5,6-trimethylpyrazin-2-yl)methyl]morpholine
CID 45237658
3,3,3-trifluoro-1-[(2R)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]propan-1-one
CID 42189451
4-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-2-[(3-methoxyphenyl)methyl]morpholine
CID 56873494
(3,4-dimethylphenyl)-[(2R)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]methanone
CID 42344181
(4-fluorophenyl)-[(2R)-2-[(3-methoxyphenyl)methyl]morpholin-4-yl]methanone
CID 124942356
5-[[2-[(3-methoxyphenyl)methyl]morpholin-4-yl]methyl]-2,1,3-benzoxadiazole
CID 45232008
1-[2-[(3-methoxyphenyl)methyl]morpholine-4-carbonyl]cyclopropane-1-carboxamide
CID 45197469
(2R)-4-cyclohexyl-2-[(3-methoxyphenyl)methyl]morpholine
CID 25376241

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-methoxyphenyl)methyl]morpholin-4-yl]acetic acid?
The IUPAC name of 2-[2-[(3-methoxyphenyl)methyl]morpholin-4-yl]acetic acid (CID 102604207) is 2-[2-[(3-methoxyphenyl)methyl]morpholin-4-yl]acetic acid.
What is the SMILES notation for 2-[2-[(3-methoxyphenyl)methyl]morpholin-4-yl]acetic acid?
The canonical SMILES for 2-[2-[(3-methoxyphenyl)methyl]morpholin-4-yl]acetic acid is COc1cccc(CC2CN(CC(=O)O)CCO2)c1.
What is the InChIKey of 2-[2-[(3-methoxyphenyl)methyl]morpholin-4-yl]acetic acid?
The InChIKey is FPOMXUUXVDHDEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-18-12-4-2-3-11(7-12)8-13-9-15(5-6-19-13)10-14(16)17/h2-4,7,13H,5-6,8-10H2,1H3,(H,16,17).
What are the key properties of 2-[2-[(3-methoxyphenyl)methyl]morpholin-4-yl]acetic acid?
2-[2-[(3-methoxyphenyl)methyl]morpholin-4-yl]acetic acid has a molecular weight of 265.31 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-methoxyphenyl)methyl]morpholin-4-yl]acetic acid is sourced from PubChem (CID 102604207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).