methyl (2R)-2-benzamido-3-(1,3-dihydro-2-benzofuran-5-yl)propanoate

C19H19NO4 — CID 155247481

IUPACmethyl (2R)-2-benzamido-3-(1,3-dihydro-2-benzofuran-5-yl)propanoate
SMILESCOC(=O)[C@@H](Cc1ccc2c(c1)COC2)NC(=O)c1ccccc1
InChIInChI=1S/C19H19NO4/c1-23-19(22)17(20-18(21)14-5-3-2-4-6-14)10-13-7-8-15-11-24-12-16(15)9-13/h2-9,17H,10-12H2,1H3,(H,20,21)/t17-/m1/s1
InChIKeyARKLBUAHVKKEEC-QGZVFWFLSA-N
MW325.36 g/mol
LogP2.23
Rot. Bonds5

About methyl (2R)-2-benzamido-3-(1,3-dihydro-2-benzofuran-5-yl)propanoate

methyl (2R)-2-benzamido-3-(1,3-dihydro-2-benzofuran-5-yl)propanoate (PubChem CID 155247481) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is methyl (2R)-2-benzamido-3-(1,3-dihydro-2-benzofuran-5-yl)propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-benzamido-3-(1,3-dihydro-2-benzofuran-5-yl)propanoate
PubChem CID155247481
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Namemethyl (2R)-2-benzamido-3-(1,3-dihydro-2-benzofuran-5-yl)propanoate
SMILESCOC(=O)[C@@H](Cc1ccc2c(c1)COC2)NC(=O)c1ccccc1
InChIInChI=1S/C19H19NO4/c1-23-19(22)17(20-18(21)14-5-3-2-4-6-14)10-13-7-8-15-11-24-12-16(15)9-13/h2-9,17H,10-12H2,1H3,(H,20,21)/t17-/m1/s1
InChIKeyARKLBUAHVKKEEC-QGZVFWFLSA-N
XLogP2.23
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(1,3-dihydro-2-benzofuran-5-carbonylamino)-3-hydroxypropanoate
CID 55230690
methyl (2R)-2-benzamido-3-(4-hydroxy-3-methoxyphenyl)propanoate
CID 720743
methyl 4-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)carbamoyl]benzoate
CID 17178335
methyl 2-[(4-fluorobenzoyl)amino]-3-phenylpropanoate
CID 531401
(3R)-3-benzamido-4-methoxy-4-oxobutanoic acid
CID 124500287
methyl (2S)-2-[(3-iodobenzoyl)amino]-3-phenylpropanoate
CID 8010917
methyl 2-[(3-fluorobenzoyl)amino]-3-phenylpropanoate
CID 531470
methyl (2R)-2-benzamido-3-(furan-2-yl)propanoate
CID 14460596
[4-(2-benzamido-3-ethoxy-3-oxopropyl)-2-benzoyloxyphenyl] benzoate
CID 162952199
methyl 2-benzamido-3-(5-methylthiophen-2-yl)propanoate
CID 139762755
methyl 2-[(4-amino-3,5-dimethylbenzoyl)amino]-3-phenylpropanoate
CID 20624106
methyl (2S)-2-[[4-(dimethylamino)benzoyl]amino]-3-phenylpropanoate
CID 27228197

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-benzamido-3-(1,3-dihydro-2-benzofuran-5-yl)propanoate?
The IUPAC name of methyl (2R)-2-benzamido-3-(1,3-dihydro-2-benzofuran-5-yl)propanoate (CID 155247481) is methyl (2R)-2-benzamido-3-(1,3-dihydro-2-benzofuran-5-yl)propanoate.
What is the SMILES notation for methyl (2R)-2-benzamido-3-(1,3-dihydro-2-benzofuran-5-yl)propanoate?
The canonical SMILES for methyl (2R)-2-benzamido-3-(1,3-dihydro-2-benzofuran-5-yl)propanoate is COC(=O)[C@@H](Cc1ccc2c(c1)COC2)NC(=O)c1ccccc1.
What is the InChIKey of methyl (2R)-2-benzamido-3-(1,3-dihydro-2-benzofuran-5-yl)propanoate?
The InChIKey is ARKLBUAHVKKEEC-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H19NO4/c1-23-19(22)17(20-18(21)14-5-3-2-4-6-14)10-13-7-8-15-11-24-12-16(15)9-13/h2-9,17H,10-12H2,1H3,(H,20,21)/t17-/m1/s1.
What are the key properties of methyl (2R)-2-benzamido-3-(1,3-dihydro-2-benzofuran-5-yl)propanoate?
methyl (2R)-2-benzamido-3-(1,3-dihydro-2-benzofuran-5-yl)propanoate has a molecular weight of 325.36 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-benzamido-3-(1,3-dihydro-2-benzofuran-5-yl)propanoate is sourced from PubChem (CID 155247481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).