methyl 2-[[2-(1-benzofuran-3-yl)acetyl]amino]propanoate

C14H15NO4 — CID 110485821

IUPACmethyl 2-[[2-(1-benzofuran-3-yl)acetyl]amino]propanoate
SMILESCOC(=O)C(C)NC(=O)Cc1coc2ccccc12
InChIInChI=1S/C14H15NO4/c1-9(14(17)18-2)15-13(16)7-10-8-19-12-6-4-3-5-11(10)12/h3-6,8-9H,7H2,1-2H3,(H,15,16)
InChIKeyNAGPGFNGOMAJRE-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.65
Rot. Bonds4

About methyl 2-[[2-(1-benzofuran-3-yl)acetyl]amino]propanoate

methyl 2-[[2-(1-benzofuran-3-yl)acetyl]amino]propanoate (PubChem CID 110485821) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is methyl 2-[[2-(1-benzofuran-3-yl)acetyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 2-[[2-(1-benzofuran-3-yl)acetyl]amino]propanoate
PubChem CID110485821
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Namemethyl 2-[[2-(1-benzofuran-3-yl)acetyl]amino]propanoate
SMILESCOC(=O)C(C)NC(=O)Cc1coc2ccccc12
InChIInChI=1S/C14H15NO4/c1-9(14(17)18-2)15-13(16)7-10-8-19-12-6-4-3-5-11(10)12/h3-6,8-9H,7H2,1-2H3,(H,15,16)
InChIKeyNAGPGFNGOMAJRE-UHFFFAOYSA-N
XLogP1.65
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S,3S)-2-(1-benzofuran-3-ylmethylamino)-3-hydroxybutanoate
CID 99834994
methyl (2R,3S)-2-(1-benzofuran-3-ylmethylamino)-3-hydroxybutanoate
CID 99834996
methyl (2R)-2-[(2-naphthalen-1-ylacetyl)amino]propanoate
CID 2079406
3-(1-benzofuran-3-ylmethylamino)butanamide
CID 115677058
methyl (2R)-2-[[2-(6,7-dimethyl-1-benzofuran-3-yl)acetyl]amino]propanoate
CID 40918319
(2R)-2-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]propanamide
CID 92542869
1-(1-benzofuran-3-yl)-3-methylbutan-2-one
CID 164836556
methyl (2S)-2-[[2-(8-methoxybenzo[e][1]benzofuran-1-yl)acetyl]amino]propanoate
CID 102352082
4-(1-benzofuran-3-ylmethylamino)-2-methyl-4-oxobutanoic acid
CID 115165103
methyl (2R)-2-[(2-benzo[e][1]benzofuran-1-ylacetyl)amino]-4-methylpentanoate
CID 9113240
2-[[2-(1-benzofuran-3-yl)acetyl]amino]acetic acid
CID 110466008
methyl 2-(1-benzofuran-3-ylmethylamino)-2-methylpropanoate
CID 80700686

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(1-benzofuran-3-yl)acetyl]amino]propanoate?
The IUPAC name of methyl 2-[[2-(1-benzofuran-3-yl)acetyl]amino]propanoate (CID 110485821) is methyl 2-[[2-(1-benzofuran-3-yl)acetyl]amino]propanoate.
What is the SMILES notation for methyl 2-[[2-(1-benzofuran-3-yl)acetyl]amino]propanoate?
The canonical SMILES for methyl 2-[[2-(1-benzofuran-3-yl)acetyl]amino]propanoate is COC(=O)C(C)NC(=O)Cc1coc2ccccc12.
What is the InChIKey of methyl 2-[[2-(1-benzofuran-3-yl)acetyl]amino]propanoate?
The InChIKey is NAGPGFNGOMAJRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4/c1-9(14(17)18-2)15-13(16)7-10-8-19-12-6-4-3-5-11(10)12/h3-6,8-9H,7H2,1-2H3,(H,15,16).
What are the key properties of methyl 2-[[2-(1-benzofuran-3-yl)acetyl]amino]propanoate?
methyl 2-[[2-(1-benzofuran-3-yl)acetyl]amino]propanoate has a molecular weight of 261.28 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(1-benzofuran-3-yl)acetyl]amino]propanoate is sourced from PubChem (CID 110485821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).