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

C13H15NO5 — CID 55230690

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

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

methyl 2-(1,3-dihydro-2-benzofuran-5-carbonylamino)-3-hydroxypropanoate (PubChem CID 55230690) has the molecular formula C13H15NO5 and a molecular weight of 265.26 g/mol. Its IUPAC name is methyl 2-(1,3-dihydro-2-benzofuran-5-carbonylamino)-3-hydroxypropanoate.

Molecular Properties

Compound Namemethyl 2-(1,3-dihydro-2-benzofuran-5-carbonylamino)-3-hydroxypropanoate
PubChem CID55230690
Molecular FormulaC13H15NO5
Molecular Weight265.26 g/mol
Exact Mass265.10
IUPAC Namemethyl 2-(1,3-dihydro-2-benzofuran-5-carbonylamino)-3-hydroxypropanoate
SMILESCOC(=O)C(CO)NC(=O)c1ccc2c(c1)COC2
InChIInChI=1S/C13H15NO5/c1-18-13(17)11(5-15)14-12(16)8-2-3-9-6-19-7-10(9)4-8/h2-4,11,15H,5-7H2,1H3,(H,14,16)
InChIKeyPUWCDNUJCWRMAS-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

(2R)-2-(1,3-dihydro-2-benzofuran-5-carbonylamino)-3-hydroxypropanoic acid
CID 80750468
N-(1-hydroxy-3-methoxypropan-2-yl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 114078983
methyl (2R)-2-benzamido-3-(1,3-dihydro-2-benzofuran-5-yl)propanoate
CID 155247481
methyl 3-(1,3-dihydro-2-benzofuran-5-carbonylamino)-2-hydroxypropanoate
CID 103958226
N-(1-aminobutan-2-yl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 63755903
N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]-1,3-dihydro-2-benzofuran-5-carboxamide
CID 95050918
methyl (2R)-2-[(3,4-difluorobenzoyl)amino]-3-hydroxypropanoate
CID 9277581
methyl (2S)-2-[(3,4-dimethoxybenzoyl)amino]-3-hydroxypropanoate
CID 9277507
methyl 2-[(3-bromo-4-methylbenzoyl)amino]-3-hydroxypropanoate
CID 81472391
methyl 3-hydroxy-2-[[4-(hydroxymethyl)benzoyl]amino]propanoate
CID 43407091
methyl 2-[(3-chloro-4-iodobenzoyl)amino]-3-hydroxypropanoate
CID 104964307
methyl 2-[(3-bromo-4-methoxybenzoyl)amino]-3-hydroxypropanoate
CID 43407222

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1,3-dihydro-2-benzofuran-5-carbonylamino)-3-hydroxypropanoate?
The IUPAC name of methyl 2-(1,3-dihydro-2-benzofuran-5-carbonylamino)-3-hydroxypropanoate (CID 55230690) is methyl 2-(1,3-dihydro-2-benzofuran-5-carbonylamino)-3-hydroxypropanoate.
What is the SMILES notation for methyl 2-(1,3-dihydro-2-benzofuran-5-carbonylamino)-3-hydroxypropanoate?
The canonical SMILES for methyl 2-(1,3-dihydro-2-benzofuran-5-carbonylamino)-3-hydroxypropanoate is COC(=O)C(CO)NC(=O)c1ccc2c(c1)COC2.
What is the InChIKey of methyl 2-(1,3-dihydro-2-benzofuran-5-carbonylamino)-3-hydroxypropanoate?
The InChIKey is PUWCDNUJCWRMAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO5/c1-18-13(17)11(5-15)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 2-(1,3-dihydro-2-benzofuran-5-carbonylamino)-3-hydroxypropanoate?
methyl 2-(1,3-dihydro-2-benzofuran-5-carbonylamino)-3-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 2-(1,3-dihydro-2-benzofuran-5-carbonylamino)-3-hydroxypropanoate is sourced from PubChem (CID 55230690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).