2-[1-benzofuran-2-ylmethyl(methyl)amino]acetic acid;hydrochloride

C12H14ClNO3 — CID 119032828

IUPAC2-[1-benzofuran-2-ylmethyl(methyl)amino]acetic acid;hydrochloride
SMILESCN(CC(=O)O)Cc1cc2ccccc2o1.Cl
InChIInChI=1S/C12H13NO3.ClH/c1-13(8-12(14)15)7-10-6-9-4-2-3-5-11(9)16-10;/h2-6H,7-8H2,1H3,(H,14,15);1H
InChIKeyMIHZRRARXZBDKX-UHFFFAOYSA-N
MW255.70 g/mol
LogP2.37
Rot. Bonds4

About 2-[1-benzofuran-2-ylmethyl(methyl)amino]acetic acid;hydrochloride

2-[1-benzofuran-2-ylmethyl(methyl)amino]acetic acid;hydrochloride (PubChem CID 119032828) has the molecular formula C12H14ClNO3 and a molecular weight of 255.70 g/mol. Its IUPAC name is 2-[1-benzofuran-2-ylmethyl(methyl)amino]acetic acid;hydrochloride.

Molecular Properties

Compound Name2-[1-benzofuran-2-ylmethyl(methyl)amino]acetic acid;hydrochloride
PubChem CID119032828
Molecular FormulaC12H14ClNO3
Molecular Weight255.70 g/mol
Exact Mass255.07
IUPAC Name2-[1-benzofuran-2-ylmethyl(methyl)amino]acetic acid;hydrochloride
SMILESCN(CC(=O)O)Cc1cc2ccccc2o1.Cl
InChIInChI=1S/C12H13NO3.ClH/c1-13(8-12(14)15)7-10-6-9-4-2-3-5-11(9)16-10;/h2-6H,7-8H2,1H3,(H,14,15);1H
InChIKeyMIHZRRARXZBDKX-UHFFFAOYSA-N
XLogP2.37
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-benzofuran-2-ylmethyl(ethyl)amino]acetic acid
CID 65063124
N-(1-benzofuran-2-ylmethyl)-N,2-dimethylpropanamide
CID 110732890
3-[1-benzofuran-2-ylmethyl(ethyl)amino]propanoic acid
CID 65062614
3-[[1-benzofuran-2-ylmethyl(methyl)carbamoyl]amino]propanoic acid
CID 122018707
N-(1-benzofuran-2-ylmethyl)-N,3-dimethylbutanamide
CID 110732893
N'-(1-benzofuran-2-ylmethyl)-N-[(4-methoxyphenyl)methyl]-N,N'-dimethylethane-1,2-diamine
CID 132523349
1-N-(1-benzofuran-2-ylmethyl)-1-N,4-dimethylpentane-1,3-diamine
CID 115317243
N-(1-benzofuran-2-ylmethyl)-2-fluoro-N-methylbenzamide
CID 110732902
N-(1-benzofuran-2-ylmethyl)-N-methyl-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119807305
N-(1-benzofuran-2-ylmethyl)-N-methylpyridine-2-carboxamide
CID 110745356
N-(1-benzofuran-2-ylmethyl)-N',N'-diethyl-N-methyldecane-1,10-diamine;iodoethane
CID 45127733
1-(1-benzofuran-2-ylmethyl)-1-hydroxy-3-methylurea;1-(1-benzofuran-2-ylmethyl)-1-hydroxyurea;urea
CID 157285283

Frequently Asked Questions

What is the IUPAC name of 2-[1-benzofuran-2-ylmethyl(methyl)amino]acetic acid;hydrochloride?
The IUPAC name of 2-[1-benzofuran-2-ylmethyl(methyl)amino]acetic acid;hydrochloride (CID 119032828) is 2-[1-benzofuran-2-ylmethyl(methyl)amino]acetic acid;hydrochloride.
What is the SMILES notation for 2-[1-benzofuran-2-ylmethyl(methyl)amino]acetic acid;hydrochloride?
The canonical SMILES for 2-[1-benzofuran-2-ylmethyl(methyl)amino]acetic acid;hydrochloride is CN(CC(=O)O)Cc1cc2ccccc2o1.Cl.
What is the InChIKey of 2-[1-benzofuran-2-ylmethyl(methyl)amino]acetic acid;hydrochloride?
The InChIKey is MIHZRRARXZBDKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3.ClH/c1-13(8-12(14)15)7-10-6-9-4-2-3-5-11(9)16-10;/h2-6H,7-8H2,1H3,(H,14,15);1H.
What are the key properties of 2-[1-benzofuran-2-ylmethyl(methyl)amino]acetic acid;hydrochloride?
2-[1-benzofuran-2-ylmethyl(methyl)amino]acetic acid;hydrochloride has a molecular weight of 255.70 g/mol, XLogP of 2.37, 4 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(methyl)amino]acetic acid;hydrochloride is sourced from PubChem (CID 119032828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).