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

C13H15NO3 — CID 65063124

IUPAC2-[1-benzofuran-2-ylmethyl(ethyl)amino]acetic acid
SMILESCCN(CC(=O)O)Cc1cc2ccccc2o1
InChIInChI=1S/C13H15NO3/c1-2-14(9-13(15)16)8-11-7-10-5-3-4-6-12(10)17-11/h3-7H,2,8-9H2,1H3,(H,15,16)
InChIKeyFLIXDFXAUFHDSR-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.34
Rot. Bonds5

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

2-[1-benzofuran-2-ylmethyl(ethyl)amino]acetic acid (PubChem CID 65063124) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 2-[1-benzofuran-2-ylmethyl(ethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[1-benzofuran-2-ylmethyl(ethyl)amino]acetic acid
PubChem CID65063124
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name2-[1-benzofuran-2-ylmethyl(ethyl)amino]acetic acid
SMILESCCN(CC(=O)O)Cc1cc2ccccc2o1
InChIInChI=1S/C13H15NO3/c1-2-14(9-13(15)16)8-11-7-10-5-3-4-6-12(10)17-11/h3-7H,2,8-9H2,1H3,(H,15,16)
InChIKeyFLIXDFXAUFHDSR-UHFFFAOYSA-N
XLogP2.34
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-benzofuran-2-ylmethyl(ethyl)amino]propanoic acid
CID 65062614
2-[1-benzofuran-2-ylmethyl(methyl)amino]acetic acid;hydrochloride
CID 119032828
N'-(1-benzofuran-2-ylmethyl)-N,N,N'-triethylethane-1,2-diamine
CID 30734803
N-(1-benzofuran-2-ylmethyl)-N',N'-diethyl-N-methyldecane-1,10-diamine;iodoethane
CID 45127733
N-(1-benzofuran-2-ylmethyl)-N,2-dimethylpropanamide
CID 110732890
3-[[1-benzofuran-2-ylmethyl(methyl)carbamoyl]amino]propanoic acid
CID 122018707
N-(1-benzofuran-2-ylmethyl)-N,3-dimethylbutanamide
CID 110732893
1-benzofuran-2-ylmethyl 2-ethylbutanoate
CID 86918284
N-(1-benzofuran-2-ylmethyl)-N',N'-diethylethane-1,2-diamine
CID 28615423
1-(1-benzofuran-2-ylmethyl)-1-hydroxy-3-methylurea;1-(1-benzofuran-2-ylmethyl)-1-hydroxyurea;urea
CID 157285283
N-(1-benzofuran-2-ylmethyl)-2-fluoro-N-methylbenzamide
CID 110732902
N-benzyl-N-ethyl-1-benzofuran-2-carboxamide
CID 110698803

Frequently Asked Questions

What is the IUPAC name of 2-[1-benzofuran-2-ylmethyl(ethyl)amino]acetic acid?
The IUPAC name of 2-[1-benzofuran-2-ylmethyl(ethyl)amino]acetic acid (CID 65063124) is 2-[1-benzofuran-2-ylmethyl(ethyl)amino]acetic acid.
What is the SMILES notation for 2-[1-benzofuran-2-ylmethyl(ethyl)amino]acetic acid?
The canonical SMILES for 2-[1-benzofuran-2-ylmethyl(ethyl)amino]acetic acid is CCN(CC(=O)O)Cc1cc2ccccc2o1.
What is the InChIKey of 2-[1-benzofuran-2-ylmethyl(ethyl)amino]acetic acid?
The InChIKey is FLIXDFXAUFHDSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-2-14(9-13(15)16)8-11-7-10-5-3-4-6-12(10)17-11/h3-7H,2,8-9H2,1H3,(H,15,16).
What are the key properties of 2-[1-benzofuran-2-ylmethyl(ethyl)amino]acetic acid?
2-[1-benzofuran-2-ylmethyl(ethyl)amino]acetic acid has a molecular weight of 233.27 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-benzofuran-2-ylmethyl(ethyl)amino]acetic acid is sourced from PubChem (CID 65063124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).