3-[1-benzofuran-2-ylmethyl(ethyl)amino]propanoic acid

C14H17NO3 — CID 65062614

IUPAC3-[1-benzofuran-2-ylmethyl(ethyl)amino]propanoic acid
SMILESCCN(CCC(=O)O)Cc1cc2ccccc2o1
InChIInChI=1S/C14H17NO3/c1-2-15(8-7-14(16)17)10-12-9-11-5-3-4-6-13(11)18-12/h3-6,9H,2,7-8,10H2,1H3,(H,16,17)
InChIKeySUCCTFUPLBNITQ-UHFFFAOYSA-N
MW247.29 g/mol
LogP2.73
Rot. Bonds6

About 3-[1-benzofuran-2-ylmethyl(ethyl)amino]propanoic acid

3-[1-benzofuran-2-ylmethyl(ethyl)amino]propanoic acid (PubChem CID 65062614) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 3-[1-benzofuran-2-ylmethyl(ethyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[1-benzofuran-2-ylmethyl(ethyl)amino]propanoic acid
PubChem CID65062614
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name3-[1-benzofuran-2-ylmethyl(ethyl)amino]propanoic acid
SMILESCCN(CCC(=O)O)Cc1cc2ccccc2o1
InChIInChI=1S/C14H17NO3/c1-2-15(8-7-14(16)17)10-12-9-11-5-3-4-6-13(11)18-12/h3-6,9H,2,7-8,10H2,1H3,(H,16,17)
InChIKeySUCCTFUPLBNITQ-UHFFFAOYSA-N
XLogP2.73
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[1-benzofuran-2-ylmethyl(ethyl)amino]propanoic acid 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

2-[1-benzofuran-2-ylmethyl(ethyl)amino]acetic acid
CID 65063124
N'-(1-benzofuran-2-ylmethyl)-N,N,N'-triethylethane-1,2-diamine
CID 30734803
3-[[1-benzofuran-2-ylmethyl(methyl)carbamoyl]amino]propanoic acid
CID 122018707
2-[1-benzofuran-2-ylmethyl(methyl)amino]acetic acid;hydrochloride
CID 119032828
N-(1-benzofuran-2-ylmethyl)-N',N'-diethyl-N-methyldecane-1,10-diamine;iodoethane
CID 45127733
N-(1-benzofuran-2-ylmethyl)-N',N'-diethylethane-1,2-diamine
CID 28615423
3-[ethyl-(2-oxochromene-3-carbonyl)amino]propanoic acid
CID 61008302
N-(1-benzofuran-2-ylmethyl)-N,2-dimethylpropanamide
CID 110732890
3-[(3,5-dimethylphenyl)methyl-ethylamino]propanoic acid
CID 54898747
1-(1-benzofuran-2-ylmethyl)-1-hydroxy-3-methylurea;1-(1-benzofuran-2-ylmethyl)-1-hydroxyurea;urea
CID 157285283
3-[ethyl-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]propanoic acid
CID 61009236
3-[ethyl(pyridin-2-ylmethyl)amino]propanoic acid
CID 61010631

Frequently Asked Questions

What is the IUPAC name of 3-[1-benzofuran-2-ylmethyl(ethyl)amino]propanoic acid?
The IUPAC name of 3-[1-benzofuran-2-ylmethyl(ethyl)amino]propanoic acid (CID 65062614) is 3-[1-benzofuran-2-ylmethyl(ethyl)amino]propanoic acid.
What is the SMILES notation for 3-[1-benzofuran-2-ylmethyl(ethyl)amino]propanoic acid?
The canonical SMILES for 3-[1-benzofuran-2-ylmethyl(ethyl)amino]propanoic acid is CCN(CCC(=O)O)Cc1cc2ccccc2o1.
What is the InChIKey of 3-[1-benzofuran-2-ylmethyl(ethyl)amino]propanoic acid?
The InChIKey is SUCCTFUPLBNITQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-2-15(8-7-14(16)17)10-12-9-11-5-3-4-6-13(11)18-12/h3-6,9H,2,7-8,10H2,1H3,(H,16,17).
What are the key properties of 3-[1-benzofuran-2-ylmethyl(ethyl)amino]propanoic acid?
3-[1-benzofuran-2-ylmethyl(ethyl)amino]propanoic acid has a molecular weight of 247.29 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-benzofuran-2-ylmethyl(ethyl)amino]propanoic acid is sourced from PubChem (CID 65062614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).