benzyl 3-amino-2-methoxybenzoate;hydrochloride

C15H16ClNO3 — CID 67245943

IUPACbenzyl 3-amino-2-methoxybenzoate;hydrochloride
SMILESCOc1c(N)cccc1C(=O)OCc1ccccc1.Cl
InChIInChI=1S/C15H15NO3.ClH/c1-18-14-12(8-5-9-13(14)16)15(17)19-10-11-6-3-2-4-7-11;/h2-9H,10,16H2,1H3;1H
InChIKeyNZXLKSCWKZCUPC-UHFFFAOYSA-N
MW293.75 g/mol
LogP3.06
Rot. Bonds4

About benzyl 3-amino-2-methoxybenzoate;hydrochloride

benzyl 3-amino-2-methoxybenzoate;hydrochloride (PubChem CID 67245943) has the molecular formula C15H16ClNO3 and a molecular weight of 293.75 g/mol. Its IUPAC name is benzyl 3-amino-2-methoxybenzoate;hydrochloride.

Molecular Properties

Compound Namebenzyl 3-amino-2-methoxybenzoate;hydrochloride
PubChem CID67245943
Molecular FormulaC15H16ClNO3
Molecular Weight293.75 g/mol
Exact Mass293.08
IUPAC Namebenzyl 3-amino-2-methoxybenzoate;hydrochloride
SMILESCOc1c(N)cccc1C(=O)OCc1ccccc1.Cl
InChIInChI=1S/C15H15NO3.ClH/c1-18-14-12(8-5-9-13(14)16)15(17)19-10-11-6-3-2-4-7-11;/h2-9H,10,16H2,1H3;1H
InChIKeyNZXLKSCWKZCUPC-UHFFFAOYSA-N
XLogP3.06
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

benzyl 2-methoxy-3-pyrazol-1-ylbenzoate
CID 138713680
3-amino-2-methoxybenzoic acid;hydrochloride
CID 163206997
benzyl 2-hydroxy-3-methoxybenzoate
CID 18075523
2-methylsulfonylethyl 3-amino-2-methoxybenzoate
CID 113386647
(4-methoxyphenyl)methyl 3-amino-2-methylbenzoate
CID 61308912
(4-fluoro-2-methylphenyl)methyl 3-amino-2-methoxybenzoate
CID 114348602
(4-methoxyphenyl)methyl 3-amino-2-pentanoyloxybenzoate
CID 57281587
3-methylsulfanylpropyl 3-amino-2-methoxybenzoate
CID 113474101
benzyl 5-chloro-3-fluoro-2-methoxybenzoate
CID 170068005
benzyl 2-(dimethylamino)benzoate
CID 58143131
benzyl 2,3-difluorobenzoate
CID 62867579
benzyl 2-fluoro-3-hydroxybenzoate
CID 561298

Frequently Asked Questions

What is the IUPAC name of benzyl 3-amino-2-methoxybenzoate;hydrochloride?
The IUPAC name of benzyl 3-amino-2-methoxybenzoate;hydrochloride (CID 67245943) is benzyl 3-amino-2-methoxybenzoate;hydrochloride.
What is the SMILES notation for benzyl 3-amino-2-methoxybenzoate;hydrochloride?
The canonical SMILES for benzyl 3-amino-2-methoxybenzoate;hydrochloride is COc1c(N)cccc1C(=O)OCc1ccccc1.Cl.
What is the InChIKey of benzyl 3-amino-2-methoxybenzoate;hydrochloride?
The InChIKey is NZXLKSCWKZCUPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3.ClH/c1-18-14-12(8-5-9-13(14)16)15(17)19-10-11-6-3-2-4-7-11;/h2-9H,10,16H2,1H3;1H.
What are the key properties of benzyl 3-amino-2-methoxybenzoate;hydrochloride?
benzyl 3-amino-2-methoxybenzoate;hydrochloride has a molecular weight of 293.75 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-amino-2-methoxybenzoate;hydrochloride is sourced from PubChem (CID 67245943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).