[(1R)-2-(1-benzofuran-3-yl)-1-[[2-(5-ethoxy-2-pyridinyl)acetyl]amino]ethyl]boronic acid

C19H21BN2O5 — CID 140861697

IUPAC[(1R)-2-(1-benzofuran-3-yl)-1-[[2-(5-ethoxy-2-pyridinyl)acetyl]amino]ethyl]boronic acid
SMILESCCOc1ccc(CC(=O)N[C@@H](Cc2coc3ccccc23)B(O)O)nc1
InChIInChI=1S/C19H21BN2O5/c1-2-26-15-8-7-14(21-11-15)10-19(23)22-18(20(24)25)9-13-12-27-17-6-4-3-5-16(13)17/h3-8,11-12,18,24-25H,2,9-10H2,1H3,(H,22,23)/t18-/m0/s1
InChIKeyTVFFMWCXHGCNQM-SFHVURJKSA-N
MW368.20 g/mol
LogP1.51
Rot. Bonds8

About [(1R)-2-(1-benzofuran-3-yl)-1-[[2-(5-ethoxy-2-pyridinyl)acetyl]amino]ethyl]boronic acid

[(1R)-2-(1-benzofuran-3-yl)-1-[[2-(5-ethoxy-2-pyridinyl)acetyl]amino]ethyl]boronic acid (PubChem CID 140861697) has the molecular formula C19H21BN2O5 and a molecular weight of 368.20 g/mol. Its IUPAC name is [(1R)-2-(1-benzofuran-3-yl)-1-[[2-(5-ethoxy-2-pyridinyl)acetyl]amino]ethyl]boronic acid.

Molecular Properties

Compound Name[(1R)-2-(1-benzofuran-3-yl)-1-[[2-(5-ethoxy-2-pyridinyl)acetyl]amino]ethyl]boronic acid
PubChem CID140861697
Molecular FormulaC19H21BN2O5
Molecular Weight368.20 g/mol
Exact Mass368.15
IUPAC Name[(1R)-2-(1-benzofuran-3-yl)-1-[[2-(5-ethoxy-2-pyridinyl)acetyl]amino]ethyl]boronic acid
SMILESCCOc1ccc(CC(=O)N[C@@H](Cc2coc3ccccc23)B(O)O)nc1
InChIInChI=1S/C19H21BN2O5/c1-2-26-15-8-7-14(21-11-15)10-19(23)22-18(20(24)25)9-13-12-27-17-6-4-3-5-16(13)17/h3-8,11-12,18,24-25H,2,9-10H2,1H3,(H,22,23)/t18-/m0/s1
InChIKeyTVFFMWCXHGCNQM-SFHVURJKSA-N
XLogP1.51
TPSA104.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.20
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze [(1R)-2-(1-benzofuran-3-yl)-1-[[2-(5-ethoxy-2-pyridinyl)acetyl]amino]ethyl]boronic 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-[2-(4-fluoro-2-methylphenoxymethyl)-5-methoxypyridin-4-yl]-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 71461150
(S)-5-(5-(2-amino-3-phenylpropoxy)pyridin-3-yl)-3-(furan-2-ylmethylene)indolin-2-one
CID 16731987
(-)-Dimethyl-{2-[3-((R)-1-pyridin-2-yl-ethyl)-benzofuran-2-yl]-ethyl}-amine
CID 44247935
N-[2-(5-Methoxy-2-pyridin-3-ylmethyl-benzofuran-3-yl)-ethyl]-acetamide
CID 11088627
Benzofuran-3-yl(4-fluoro-4-(((5-methylpyridin-2-yl)methylamino)methyl)piperidin-1-yl)methanone
CID 42606573
N-(6-(2-methylpyridin-3-yloxy)pyridin-3-yl)benzofuran-3-carboxamide
CID 44251240
N-[3-[(5-carbamoyl-3-pyridinyl)oxymethyl]phenyl]-6-(furan-2-yl)pyridine-3-carboxamide
CID 124155906
N-[3-[(5-carbamoyl-3-pyridinyl)oxymethyl]phenyl]-1H-indole-3-carboxamide
CID 124156742
5-[[3-(1-Benzofuran-2-carbonylamino)phenyl]methoxy]pyridine-3-carboxamide
CID 124156875
[(1R)-2-(1-benzofuran-3-yl)-1-[(2-pyrimidin-2-ylacetyl)amino]ethyl]boronic acid
CID 140861690
[(1R)-2-(1-benzofuran-3-yl)-1-[(2-pyridin-4-ylacetyl)amino]ethyl]boronic acid
CID 140861708
[(1R)-2-(1-benzofuran-3-yl)-1-[(2-pyridin-3-ylacetyl)amino]ethyl]boronic acid
CID 140861720

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-(1-benzofuran-3-yl)-1-[[2-(5-ethoxy-2-pyridinyl)acetyl]amino]ethyl]boronic acid?
The IUPAC name of [(1R)-2-(1-benzofuran-3-yl)-1-[[2-(5-ethoxy-2-pyridinyl)acetyl]amino]ethyl]boronic acid (CID 140861697) is [(1R)-2-(1-benzofuran-3-yl)-1-[[2-(5-ethoxy-2-pyridinyl)acetyl]amino]ethyl]boronic acid.
What is the SMILES notation for [(1R)-2-(1-benzofuran-3-yl)-1-[[2-(5-ethoxy-2-pyridinyl)acetyl]amino]ethyl]boronic acid?
The canonical SMILES for [(1R)-2-(1-benzofuran-3-yl)-1-[[2-(5-ethoxy-2-pyridinyl)acetyl]amino]ethyl]boronic acid is CCOc1ccc(CC(=O)N[C@@H](Cc2coc3ccccc23)B(O)O)nc1.
What is the InChIKey of [(1R)-2-(1-benzofuran-3-yl)-1-[[2-(5-ethoxy-2-pyridinyl)acetyl]amino]ethyl]boronic acid?
The InChIKey is TVFFMWCXHGCNQM-SFHVURJKSA-N. The full InChI is InChI=1S/C19H21BN2O5/c1-2-26-15-8-7-14(21-11-15)10-19(23)22-18(20(24)25)9-13-12-27-17-6-4-3-5-16(13)17/h3-8,11-12,18,24-25H,2,9-10H2,1H3,(H,22,23)/t18-/m0/s1.
What are the key properties of [(1R)-2-(1-benzofuran-3-yl)-1-[[2-(5-ethoxy-2-pyridinyl)acetyl]amino]ethyl]boronic acid?
[(1R)-2-(1-benzofuran-3-yl)-1-[[2-(5-ethoxy-2-pyridinyl)acetyl]amino]ethyl]boronic acid has a molecular weight of 368.20 g/mol, XLogP of 1.51, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-(1-benzofuran-3-yl)-1-[[2-(5-ethoxy-2-pyridinyl)acetyl]amino]ethyl]boronic acid is sourced from PubChem (CID 140861697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).