2-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]morpholin-2-yl]acetic acid

C16H19NO5 — CID 119247939

IUPAC2-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]morpholin-2-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)Cc2ccc3c(c2)CCO3)CCO1
InChIInChI=1S/C16H19NO5/c18-15(17-4-6-21-13(10-17)9-16(19)20)8-11-1-2-14-12(7-11)3-5-22-14/h1-2,7,13H,3-6,8-10H2,(H,19,20)
InChIKeyPCUOPFYVCMKHIB-UHFFFAOYSA-N
MW305.33 g/mol
LogP0.87
Rot. Bonds4

About 2-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]morpholin-2-yl]acetic acid

2-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]morpholin-2-yl]acetic acid (PubChem CID 119247939) has the molecular formula C16H19NO5 and a molecular weight of 305.33 g/mol. Its IUPAC name is 2-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]morpholin-2-yl]acetic acid
PubChem CID119247939
Molecular FormulaC16H19NO5
Molecular Weight305.33 g/mol
Exact Mass305.13
IUPAC Name2-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]morpholin-2-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)Cc2ccc3c(c2)CCO3)CCO1
InChIInChI=1S/C16H19NO5/c18-15(17-4-6-21-13(10-17)9-16(19)20)8-11-1-2-14-12(7-11)3-5-22-14/h1-2,7,13H,3-6,8-10H2,(H,19,20)
InChIKeyPCUOPFYVCMKHIB-UHFFFAOYSA-N
XLogP0.87
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]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-[4-[2-(4-ethylphenyl)acetyl]morpholin-2-yl]acetic acid
CID 119248876
(2R)-4-[2-(3,4-dihydro-2H-chromen-6-yl)acetyl]morpholine-2-carboxylic acid
CID 124963505
2-[4-[2-(4-methoxyphenyl)acetyl]morpholin-2-yl]acetic acid
CID 66434960
(3R,4R)-4-cyclopropyl-1-[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]pyrrolidine-3-carboxylic acid
CID 120980227
2-(2,3-dihydro-1H-inden-5-yl)-1-[2-(hydroxymethyl)morpholin-4-yl]ethanone
CID 81208855
2-[4-[5-(2,3-dihydro-1-benzofuran-5-yl)pyridine-3-carbonyl]morpholin-2-yl]acetic acid
CID 120527794
2-(3,4-dihydro-2H-chromen-6-yl)-1-(3-methylpiperidin-1-yl)ethanone
CID 110771158
2-[4-[2-(4-propan-2-ylsulfonylphenyl)acetyl]morpholin-2-yl]acetic acid
CID 120527813
2-[(2S)-4-[2-(cyclohexen-1-yl)acetyl]morpholin-2-yl]acetic acid
CID 124515383
1-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 110801585
2-(2,3-dihydro-1-benzofuran-5-yl)acetate
CID 7130264
1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-(2,3-dihydro-1-benzofuran-5-yl)ethanone
CID 110801124

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]morpholin-2-yl]acetic acid (CID 119247939) is 2-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]morpholin-2-yl]acetic acid is O=C(O)CC1CN(C(=O)Cc2ccc3c(c2)CCO3)CCO1.
What is the InChIKey of 2-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]morpholin-2-yl]acetic acid?
The InChIKey is PCUOPFYVCMKHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO5/c18-15(17-4-6-21-13(10-17)9-16(19)20)8-11-1-2-14-12(7-11)3-5-22-14/h1-2,7,13H,3-6,8-10H2,(H,19,20).
What are the key properties of 2-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]morpholin-2-yl]acetic acid?
2-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]morpholin-2-yl]acetic acid has a molecular weight of 305.33 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 119247939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).