2-[4-(2-benzo[e][1]benzofuran-2-ylacetyl)morpholin-2-yl]acetic acid

C20H19NO5 — CID 120527712

IUPAC2-[4-(2-benzo[e][1]benzofuran-2-ylacetyl)morpholin-2-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)Cc2cc3c(ccc4ccccc43)o2)CCO1
InChIInChI=1S/C20H19NO5/c22-19(21-7-8-25-15(12-21)11-20(23)24)10-14-9-17-16-4-2-1-3-13(16)5-6-18(17)26-14/h1-6,9,15H,7-8,10-12H2,(H,23,24)
InChIKeyVZKUOPKZDHPIDQ-UHFFFAOYSA-N
MW353.37 g/mol
LogP2.83
Rot. Bonds4

About 2-[4-(2-benzo[e][1]benzofuran-2-ylacetyl)morpholin-2-yl]acetic acid

2-[4-(2-benzo[e][1]benzofuran-2-ylacetyl)morpholin-2-yl]acetic acid (PubChem CID 120527712) has the molecular formula C20H19NO5 and a molecular weight of 353.37 g/mol. Its IUPAC name is 2-[4-(2-benzo[e][1]benzofuran-2-ylacetyl)morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2-benzo[e][1]benzofuran-2-ylacetyl)morpholin-2-yl]acetic acid
PubChem CID120527712
Molecular FormulaC20H19NO5
Molecular Weight353.37 g/mol
Exact Mass353.13
IUPAC Name2-[4-(2-benzo[e][1]benzofuran-2-ylacetyl)morpholin-2-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)Cc2cc3c(ccc4ccccc43)o2)CCO1
InChIInChI=1S/C20H19NO5/c22-19(21-7-8-25-15(12-21)11-20(23)24)10-14-9-17-16-4-2-1-3-13(16)5-6-18(17)26-14/h1-6,9,15H,7-8,10-12H2,(H,23,24)
InChIKeyVZKUOPKZDHPIDQ-UHFFFAOYSA-N
XLogP2.83
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-(2-benzo[e][1]benzofuran-2-ylacetyl)morpholin-2-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2R)-4-[3-(1-benzofuran-2-yl)propanoyl]morpholin-2-yl]acetic acid
CID 125150468
2-[4-[2-(2-methylphenyl)acetyl]morpholin-2-yl]acetic acid
CID 66421746
(6R)-4-(2-benzo[e][1]benzofuran-2-ylacetyl)-6-methylmorpholine-2-carboxylic acid
CID 120536193
2-[4-(2-phenoxyacetyl)morpholin-2-yl]acetic acid
CID 66421533
2-[4-(3-phenylpropanoyl)morpholin-2-yl]acetic acid
CID 66422337
2-[4-[3-(naphthalene-2-carbonylamino)propanoyl]morpholin-2-yl]acetic acid
CID 119247581
2-[4-(4-fluoronaphthalene-2-carbonyl)morpholin-2-yl]acetic acid
CID 167893929
2-[4-[2-(4-ethylphenyl)acetyl]morpholin-2-yl]acetic acid
CID 119248876
2-[4-[2-(4-methoxyphenyl)acetyl]morpholin-2-yl]acetic acid
CID 66434960
2-[(2S)-4-[2-(2,3-difluorophenyl)acetyl]morpholin-2-yl]acetic acid
CID 124517152
2-[4-(3-phenylprop-2-ynoyl)morpholin-2-yl]acetic acid
CID 66433018
2-[4-[2-(4-tert-butylphenyl)sulfanylacetyl]morpholin-2-yl]acetic acid
CID 119247943

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-benzo[e][1]benzofuran-2-ylacetyl)morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-(2-benzo[e][1]benzofuran-2-ylacetyl)morpholin-2-yl]acetic acid (CID 120527712) is 2-[4-(2-benzo[e][1]benzofuran-2-ylacetyl)morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-(2-benzo[e][1]benzofuran-2-ylacetyl)morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-(2-benzo[e][1]benzofuran-2-ylacetyl)morpholin-2-yl]acetic acid is O=C(O)CC1CN(C(=O)Cc2cc3c(ccc4ccccc43)o2)CCO1.
What is the InChIKey of 2-[4-(2-benzo[e][1]benzofuran-2-ylacetyl)morpholin-2-yl]acetic acid?
The InChIKey is VZKUOPKZDHPIDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO5/c22-19(21-7-8-25-15(12-21)11-20(23)24)10-14-9-17-16-4-2-1-3-13(16)5-6-18(17)26-14/h1-6,9,15H,7-8,10-12H2,(H,23,24).
What are the key properties of 2-[4-(2-benzo[e][1]benzofuran-2-ylacetyl)morpholin-2-yl]acetic acid?
2-[4-(2-benzo[e][1]benzofuran-2-ylacetyl)morpholin-2-yl]acetic acid has a molecular weight of 353.37 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-benzo[e][1]benzofuran-2-ylacetyl)morpholin-2-yl]acetic acid is sourced from PubChem (CID 120527712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).