methyl 2-(1-benzofuran-2-carbonylamino)propanoate

C13H13NO4 — CID 19167935

IUPACmethyl 2-(1-benzofuran-2-carbonylamino)propanoate
SMILESCOC(=O)C(C)NC(=O)c1cc2ccccc2o1
InChIInChI=1S/C13H13NO4/c1-8(13(16)17-2)14-12(15)11-7-9-5-3-4-6-10(9)18-11/h3-8H,1-2H3,(H,14,15)
InChIKeyJXRWHCPUDPRAHP-UHFFFAOYSA-N
MW247.25 g/mol
LogP1.72
Rot. Bonds3

About methyl 2-(1-benzofuran-2-carbonylamino)propanoate

methyl 2-(1-benzofuran-2-carbonylamino)propanoate (PubChem CID 19167935) has the molecular formula C13H13NO4 and a molecular weight of 247.25 g/mol. Its IUPAC name is methyl 2-(1-benzofuran-2-carbonylamino)propanoate.

Molecular Properties

Compound Namemethyl 2-(1-benzofuran-2-carbonylamino)propanoate
PubChem CID19167935
Molecular FormulaC13H13NO4
Molecular Weight247.25 g/mol
Exact Mass247.08
IUPAC Namemethyl 2-(1-benzofuran-2-carbonylamino)propanoate
SMILESCOC(=O)C(C)NC(=O)c1cc2ccccc2o1
InChIInChI=1S/C13H13NO4/c1-8(13(16)17-2)14-12(15)11-7-9-5-3-4-6-10(9)18-11/h3-8H,1-2H3,(H,14,15)
InChIKeyJXRWHCPUDPRAHP-UHFFFAOYSA-N
XLogP1.72
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-(1-benzofuran-2-carbonylamino)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[(5-amino-1-benzofuran-2-carbonyl)amino]propanoate
CID 61496788
methyl 2-(1-benzofuran-2-carbonylamino)-3-hydroxypropanoate
CID 43405796
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 9366962
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 9366960
N-(1-cyano-2-methylpropyl)-1-benzofuran-2-carboxamide
CID 63941032
N-[(1R)-1-(4-methoxyphenyl)ethyl]-1-benzofuran-2-carboxamide
CID 39358745
N-(1-cyanoethyl)-1-benzofuran-2-carboxamide
CID 61119262
N-(4-aminopentan-2-yl)-1-benzofuran-2-carboxamide
CID 113376830
N-[1-(4-carbamoylphenyl)ethyl]-1-benzofuran-2-carboxamide
CID 123325602
methyl (2S)-2-(1-benzofuran-2-carbonylamino)-3-(4-methoxyphenyl)propanoate
CID 86655478
N-benzhydryl-1-benzofuran-2-carboxamide
CID 880613
N-(1-hydroxy-4-methylpentan-3-yl)-1-benzofuran-2-carboxamide
CID 103751093

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-benzofuran-2-carbonylamino)propanoate?
The IUPAC name of methyl 2-(1-benzofuran-2-carbonylamino)propanoate (CID 19167935) is methyl 2-(1-benzofuran-2-carbonylamino)propanoate.
What is the SMILES notation for methyl 2-(1-benzofuran-2-carbonylamino)propanoate?
The canonical SMILES for methyl 2-(1-benzofuran-2-carbonylamino)propanoate is COC(=O)C(C)NC(=O)c1cc2ccccc2o1.
What is the InChIKey of methyl 2-(1-benzofuran-2-carbonylamino)propanoate?
The InChIKey is JXRWHCPUDPRAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO4/c1-8(13(16)17-2)14-12(15)11-7-9-5-3-4-6-10(9)18-11/h3-8H,1-2H3,(H,14,15).
What are the key properties of methyl 2-(1-benzofuran-2-carbonylamino)propanoate?
methyl 2-(1-benzofuran-2-carbonylamino)propanoate has a molecular weight of 247.25 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-benzofuran-2-carbonylamino)propanoate is sourced from PubChem (CID 19167935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).