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

C13H15NO5 — CID 103958226

IUPACmethyl 3-(1,3-dihydro-2-benzofuran-5-carbonylamino)-2-hydroxypropanoate
SMILESCOC(=O)C(O)CNC(=O)c1ccc2c(c1)COC2
InChIInChI=1S/C13H15NO5/c1-18-13(17)11(15)5-14-12(16)8-2-3-9-6-19-7-10(9)4-8/h2-4,11,15H,5-7H2,1H3,(H,14,16)
InChIKeyPYWBZKRSTDMGNX-UHFFFAOYSA-N
MW265.26 g/mol
LogP-0.02
Rot. Bonds4

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

methyl 3-(1,3-dihydro-2-benzofuran-5-carbonylamino)-2-hydroxypropanoate (PubChem CID 103958226) has the molecular formula C13H15NO5 and a molecular weight of 265.26 g/mol. Its IUPAC name is methyl 3-(1,3-dihydro-2-benzofuran-5-carbonylamino)-2-hydroxypropanoate.

Molecular Properties

Compound Namemethyl 3-(1,3-dihydro-2-benzofuran-5-carbonylamino)-2-hydroxypropanoate
PubChem CID103958226
Molecular FormulaC13H15NO5
Molecular Weight265.26 g/mol
Exact Mass265.10
IUPAC Namemethyl 3-(1,3-dihydro-2-benzofuran-5-carbonylamino)-2-hydroxypropanoate
SMILESCOC(=O)C(O)CNC(=O)c1ccc2c(c1)COC2
InChIInChI=1S/C13H15NO5/c1-18-13(17)11(15)5-14-12(16)8-2-3-9-6-19-7-10(9)4-8/h2-4,11,15H,5-7H2,1H3,(H,14,16)
InChIKeyPYWBZKRSTDMGNX-UHFFFAOYSA-N
XLogP-0.02
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 ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-amino-2-methylpropyl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 63732267
methyl 2-hydroxy-3-(1,2,3,4-tetrahydroisoquinoline-7-carbonylamino)propanoate
CID 107222796
methyl 3-(2,3-dihydro-1-benzofuran-5-carbonylamino)-2-hydroxypropanoate
CID 103879254
3-(1,3-dihydro-2-benzofuran-5-carbonylamino)-2-methylpropanoic acid
CID 63733095
methyl 2-(1,3-dihydro-2-benzofuran-5-carbonylamino)acetate
CID 49192128
methyl 2-(1,3-dihydro-2-benzofuran-5-carbonylamino)-3-hydroxypropanoate
CID 55230690
methyl 3-[(4-amino-3-methoxybenzoyl)amino]-2-hydroxypropanoate
CID 107211629
methyl 3-(3,4-dihydro-2H-1,5-benzodioxepine-7-carbonylamino)-2-hydroxypropanoate
CID 103957842
N-[2-(propan-2-ylamino)ethyl]-1,3-dihydro-2-benzofuran-5-carboxamide
CID 63743519
N-(3-hydroxypentyl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 113259378
methyl (2R)-3-benzamido-2-hydroxypropanoate
CID 100946416
N-(2-amino-2-ethylbutyl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 81484647

Frequently Asked Questions

What is the IUPAC name of methyl 3-(1,3-dihydro-2-benzofuran-5-carbonylamino)-2-hydroxypropanoate?
The IUPAC name of methyl 3-(1,3-dihydro-2-benzofuran-5-carbonylamino)-2-hydroxypropanoate (CID 103958226) is methyl 3-(1,3-dihydro-2-benzofuran-5-carbonylamino)-2-hydroxypropanoate.
What is the SMILES notation for methyl 3-(1,3-dihydro-2-benzofuran-5-carbonylamino)-2-hydroxypropanoate?
The canonical SMILES for methyl 3-(1,3-dihydro-2-benzofuran-5-carbonylamino)-2-hydroxypropanoate is COC(=O)C(O)CNC(=O)c1ccc2c(c1)COC2.
What is the InChIKey of methyl 3-(1,3-dihydro-2-benzofuran-5-carbonylamino)-2-hydroxypropanoate?
The InChIKey is PYWBZKRSTDMGNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO5/c1-18-13(17)11(15)5-14-12(16)8-2-3-9-6-19-7-10(9)4-8/h2-4,11,15H,5-7H2,1H3,(H,14,16).
What are the key properties of methyl 3-(1,3-dihydro-2-benzofuran-5-carbonylamino)-2-hydroxypropanoate?
methyl 3-(1,3-dihydro-2-benzofuran-5-carbonylamino)-2-hydroxypropanoate has a molecular weight of 265.26 g/mol, XLogP of -0.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(1,3-dihydro-2-benzofuran-5-carbonylamino)-2-hydroxypropanoate is sourced from PubChem (CID 103958226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).