2-[(2R)-4-[3-(1-benzofuran-2-yl)propanoyl]morpholin-2-yl]acetic acid

C17H19NO5 — CID 125150468

IUPAC2-[(2R)-4-[3-(1-benzofuran-2-yl)propanoyl]morpholin-2-yl]acetic acid
SMILESO=C(O)C[C@@H]1CN(C(=O)CCc2cc3ccccc3o2)CCO1
InChIInChI=1S/C17H19NO5/c19-16(18-7-8-22-14(11-18)10-17(20)21)6-5-13-9-12-3-1-2-4-15(12)23-13/h1-4,9,14H,5-8,10-11H2,(H,20,21)/t14-/m1/s1
InChIKeyDMFLTOAFUVLGSY-CQSZACIVSA-N
MW317.34 g/mol
LogP2.07
Rot. Bonds5

About 2-[(2R)-4-[3-(1-benzofuran-2-yl)propanoyl]morpholin-2-yl]acetic acid

2-[(2R)-4-[3-(1-benzofuran-2-yl)propanoyl]morpholin-2-yl]acetic acid (PubChem CID 125150468) has the molecular formula C17H19NO5 and a molecular weight of 317.34 g/mol. Its IUPAC name is 2-[(2R)-4-[3-(1-benzofuran-2-yl)propanoyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[(2R)-4-[3-(1-benzofuran-2-yl)propanoyl]morpholin-2-yl]acetic acid
PubChem CID125150468
Molecular FormulaC17H19NO5
Molecular Weight317.34 g/mol
Exact Mass317.13
IUPAC Name2-[(2R)-4-[3-(1-benzofuran-2-yl)propanoyl]morpholin-2-yl]acetic acid
SMILESO=C(O)C[C@@H]1CN(C(=O)CCc2cc3ccccc3o2)CCO1
InChIInChI=1S/C17H19NO5/c19-16(18-7-8-22-14(11-18)10-17(20)21)6-5-13-9-12-3-1-2-4-15(12)23-13/h1-4,9,14H,5-8,10-11H2,(H,20,21)/t14-/m1/s1
InChIKeyDMFLTOAFUVLGSY-CQSZACIVSA-N
XLogP2.07
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(2R)-4-[3-(1-benzofuran-2-yl)propanoyl]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

4-[3-(1-benzofuran-2-yl)propanoyl]morpholine-2-carboxylic acid
CID 119239465
2-[4-(3-phenylpropanoyl)morpholin-2-yl]acetic acid
CID 66422337
2-[4-(2-benzo[e][1]benzofuran-2-ylacetyl)morpholin-2-yl]acetic acid
CID 120527712
2-[4-(3-thiophen-2-ylpropanoyl)morpholin-2-yl]acetic acid
CID 66421747
2-[(2S)-4-[3-(2-ethoxyphenyl)propanoyl]morpholin-2-yl]acetic acid
CID 125147522
2-[4-[3-(naphthalene-2-carbonylamino)propanoyl]morpholin-2-yl]acetic acid
CID 119247581
2-[4-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]morpholin-2-yl]acetic acid
CID 119247740
2-[4-[3-(2,4-dimethylphenyl)propanoyl]morpholin-2-yl]acetic acid
CID 119248342
2-[4-(2-phenoxyacetyl)morpholin-2-yl]acetic acid
CID 66421533
2-[(2S)-4-[4-(3,4-difluorophenyl)butanoyl]morpholin-2-yl]acetic acid
CID 124702410
2-[(2S)-4-[3-(4-chlorothiophen-2-yl)propanoyl]morpholin-2-yl]acetic acid
CID 124702416
2-[4-[3-(3,5-dimethoxyphenyl)propanoyl]morpholin-2-yl]acetic acid
CID 119248324

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-4-[3-(1-benzofuran-2-yl)propanoyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[(2R)-4-[3-(1-benzofuran-2-yl)propanoyl]morpholin-2-yl]acetic acid (CID 125150468) is 2-[(2R)-4-[3-(1-benzofuran-2-yl)propanoyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[(2R)-4-[3-(1-benzofuran-2-yl)propanoyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[(2R)-4-[3-(1-benzofuran-2-yl)propanoyl]morpholin-2-yl]acetic acid is O=C(O)C[C@@H]1CN(C(=O)CCc2cc3ccccc3o2)CCO1.
What is the InChIKey of 2-[(2R)-4-[3-(1-benzofuran-2-yl)propanoyl]morpholin-2-yl]acetic acid?
The InChIKey is DMFLTOAFUVLGSY-CQSZACIVSA-N. The full InChI is InChI=1S/C17H19NO5/c19-16(18-7-8-22-14(11-18)10-17(20)21)6-5-13-9-12-3-1-2-4-15(12)23-13/h1-4,9,14H,5-8,10-11H2,(H,20,21)/t14-/m1/s1.
What are the key properties of 2-[(2R)-4-[3-(1-benzofuran-2-yl)propanoyl]morpholin-2-yl]acetic acid?
2-[(2R)-4-[3-(1-benzofuran-2-yl)propanoyl]morpholin-2-yl]acetic acid has a molecular weight of 317.34 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-4-[3-(1-benzofuran-2-yl)propanoyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 125150468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).