methyl 2-[(2-aminoacetyl)amino]-4,5-dimethoxybenzoate;hydrochloride

C12H17ClN2O5 — CID 119265007

IUPACmethyl 2-[(2-aminoacetyl)amino]-4,5-dimethoxybenzoate;hydrochloride
SMILESCOC(=O)c1cc(OC)c(OC)cc1NC(=O)CN.Cl
InChIInChI=1S/C12H16N2O5.ClH/c1-17-9-4-7(12(16)19-3)8(5-10(9)18-2)14-11(15)6-13;/h4-5H,6,13H2,1-3H3,(H,14,15);1H
InChIKeyOQKRJGVOAROQKH-UHFFFAOYSA-N
MW304.73 g/mol
LogP0.81
Rot. Bonds5

About methyl 2-[(2-aminoacetyl)amino]-4,5-dimethoxybenzoate;hydrochloride

methyl 2-[(2-aminoacetyl)amino]-4,5-dimethoxybenzoate;hydrochloride (PubChem CID 119265007) has the molecular formula C12H17ClN2O5 and a molecular weight of 304.73 g/mol. Its IUPAC name is methyl 2-[(2-aminoacetyl)amino]-4,5-dimethoxybenzoate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-[(2-aminoacetyl)amino]-4,5-dimethoxybenzoate;hydrochloride
PubChem CID119265007
Molecular FormulaC12H17ClN2O5
Molecular Weight304.73 g/mol
Exact Mass304.08
IUPAC Namemethyl 2-[(2-aminoacetyl)amino]-4,5-dimethoxybenzoate;hydrochloride
SMILESCOC(=O)c1cc(OC)c(OC)cc1NC(=O)CN.Cl
InChIInChI=1S/C12H16N2O5.ClH/c1-17-9-4-7(12(16)19-3)8(5-10(9)18-2)14-11(15)6-13;/h4-5H,6,13H2,1-3H3,(H,14,15);1H
InChIKeyOQKRJGVOAROQKH-UHFFFAOYSA-N
XLogP0.81
TPSA99.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.73
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4,5-dimethoxy-2-[(2-methoxyacetyl)amino]benzoate
CID 2808926
methyl 2-[(4-amino-3-methoxybutanoyl)amino]-4,5-dimethoxybenzoate
CID 120586654
methyl 2-(3,3-dimethylbutanoylamino)-4,5-dimethoxybenzoate
CID 2104071
methyl 4,5-dimethoxy-2-[4-(methylamino)butanoylamino]benzoate;hydrochloride
CID 119677751
methyl 4,5-dimethoxy-2-[[2-(2-methoxyethoxy)acetyl]amino]benzoate
CID 43037508
2-amino-N-(2-fluoro-4,5-dimethoxyphenyl)acetamide
CID 119320405
methyl 4,5-dimethoxy-2-[[2-(4-methylphenoxy)acetyl]amino]benzoate
CID 8801664
methyl 2-[[2-(3,4-dimethylphenyl)acetyl]amino]-4,5-dimethoxybenzoate
CID 2120642
methyl 4,5-dimethoxy-2-(2-methylbutanoylamino)benzoate
CID 46511325
methyl 4,5-dimethoxy-2-[4-(4-methylphenoxy)butanoylamino]benzoate
CID 7917719
methyl 4,5-dimethoxy-2-[3-(4-methoxyphenyl)propanoylamino]benzoate
CID 5305505
2-amino-N-(2,4-dibromo-5-methoxyphenyl)acetamide
CID 103413499

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-aminoacetyl)amino]-4,5-dimethoxybenzoate;hydrochloride?
The IUPAC name of methyl 2-[(2-aminoacetyl)amino]-4,5-dimethoxybenzoate;hydrochloride (CID 119265007) is methyl 2-[(2-aminoacetyl)amino]-4,5-dimethoxybenzoate;hydrochloride.
What is the SMILES notation for methyl 2-[(2-aminoacetyl)amino]-4,5-dimethoxybenzoate;hydrochloride?
The canonical SMILES for methyl 2-[(2-aminoacetyl)amino]-4,5-dimethoxybenzoate;hydrochloride is COC(=O)c1cc(OC)c(OC)cc1NC(=O)CN.Cl.
What is the InChIKey of methyl 2-[(2-aminoacetyl)amino]-4,5-dimethoxybenzoate;hydrochloride?
The InChIKey is OQKRJGVOAROQKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O5.ClH/c1-17-9-4-7(12(16)19-3)8(5-10(9)18-2)14-11(15)6-13;/h4-5H,6,13H2,1-3H3,(H,14,15);1H.
What are the key properties of methyl 2-[(2-aminoacetyl)amino]-4,5-dimethoxybenzoate;hydrochloride?
methyl 2-[(2-aminoacetyl)amino]-4,5-dimethoxybenzoate;hydrochloride has a molecular weight of 304.73 g/mol, XLogP of 0.81, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-aminoacetyl)amino]-4,5-dimethoxybenzoate;hydrochloride is sourced from PubChem (CID 119265007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).