methyl 3-(2,3-dihydro-1-benzofuran-5-carbonylamino)-2-hydroxypropanoate

C13H15NO5 — CID 103879254

IUPACmethyl 3-(2,3-dihydro-1-benzofuran-5-carbonylamino)-2-hydroxypropanoate
SMILESCOC(=O)C(O)CNC(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C13H15NO5/c1-18-13(17)10(15)7-14-12(16)9-2-3-11-8(6-9)4-5-19-11/h2-3,6,10,15H,4-5,7H2,1H3,(H,14,16)
InChIKeyREINDTOFUPZFJG-UHFFFAOYSA-N
MW265.26 g/mol
LogP-0.11
Rot. Bonds4

About methyl 3-(2,3-dihydro-1-benzofuran-5-carbonylamino)-2-hydroxypropanoate

methyl 3-(2,3-dihydro-1-benzofuran-5-carbonylamino)-2-hydroxypropanoate (PubChem CID 103879254) has the molecular formula C13H15NO5 and a molecular weight of 265.26 g/mol. Its IUPAC name is methyl 3-(2,3-dihydro-1-benzofuran-5-carbonylamino)-2-hydroxypropanoate.

Molecular Properties

Compound Namemethyl 3-(2,3-dihydro-1-benzofuran-5-carbonylamino)-2-hydroxypropanoate
PubChem CID103879254
Molecular FormulaC13H15NO5
Molecular Weight265.26 g/mol
Exact Mass265.10
IUPAC Namemethyl 3-(2,3-dihydro-1-benzofuran-5-carbonylamino)-2-hydroxypropanoate
SMILESCOC(=O)C(O)CNC(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C13H15NO5/c1-18-13(17)10(15)7-14-12(16)9-2-3-11-8(6-9)4-5-19-11/h2-3,6,10,15H,4-5,7H2,1H3,(H,14,16)
InChIKeyREINDTOFUPZFJG-UHFFFAOYSA-N
XLogP-0.11
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,3-dihydro-1-benzofuran-5-carbonylamino)-2-hydroxypropanoic acid
CID 66166416
methyl 3-(3,4-dihydro-2H-1,5-benzodioxepine-7-carbonylamino)-2-hydroxypropanoate
CID 103957842
N-(3-amino-2-methylpropyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 62667060
N-[2-(methylamino)propyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 103512682
N-(2-amino-3-ethylpentyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 106286086
N-(3-chloro-2-methylpropyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 114302534
methyl 3-(1,3-dihydro-2-benzofuran-5-carbonylamino)-2-hydroxypropanoate
CID 103958226
N-(3-amino-2,2-dimethylpropyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 113295192
N-(2-cyclopentyl-2-hydroxyethyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 111426308
methyl 2-hydroxy-3-(1,2,3,4-tetrahydroisoquinoline-7-carbonylamino)propanoate
CID 107222796
N-(2-methylprop-2-enyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 114618555
N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-3,4-dimethoxybenzamide
CID 90557940

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2,3-dihydro-1-benzofuran-5-carbonylamino)-2-hydroxypropanoate?
The IUPAC name of methyl 3-(2,3-dihydro-1-benzofuran-5-carbonylamino)-2-hydroxypropanoate (CID 103879254) is methyl 3-(2,3-dihydro-1-benzofuran-5-carbonylamino)-2-hydroxypropanoate.
What is the SMILES notation for methyl 3-(2,3-dihydro-1-benzofuran-5-carbonylamino)-2-hydroxypropanoate?
The canonical SMILES for methyl 3-(2,3-dihydro-1-benzofuran-5-carbonylamino)-2-hydroxypropanoate is COC(=O)C(O)CNC(=O)c1ccc2c(c1)CCO2.
What is the InChIKey of methyl 3-(2,3-dihydro-1-benzofuran-5-carbonylamino)-2-hydroxypropanoate?
The InChIKey is REINDTOFUPZFJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO5/c1-18-13(17)10(15)7-14-12(16)9-2-3-11-8(6-9)4-5-19-11/h2-3,6,10,15H,4-5,7H2,1H3,(H,14,16).
What are the key properties of methyl 3-(2,3-dihydro-1-benzofuran-5-carbonylamino)-2-hydroxypropanoate?
methyl 3-(2,3-dihydro-1-benzofuran-5-carbonylamino)-2-hydroxypropanoate has a molecular weight of 265.26 g/mol, XLogP of -0.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2,3-dihydro-1-benzofuran-5-carbonylamino)-2-hydroxypropanoate is sourced from PubChem (CID 103879254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).