methyl 4-(2-aminoacetyl)benzoate;hydrochloride

C10H12ClNO3 — CID 67046619

IUPACmethyl 4-(2-aminoacetyl)benzoate;hydrochloride
SMILESCOC(=O)c1ccc(C(=O)CN)cc1.Cl
InChIInChI=1S/C10H11NO3.ClH/c1-14-10(13)8-4-2-7(3-5-8)9(12)6-11;/h2-5H,6,11H2,1H3;1H
InChIKeyIFMUQUIQAWPJBQ-UHFFFAOYSA-N
MW229.66 g/mol
LogP1.04
Rot. Bonds3

About methyl 4-(2-aminoacetyl)benzoate;hydrochloride

methyl 4-(2-aminoacetyl)benzoate;hydrochloride (PubChem CID 67046619) has the molecular formula C10H12ClNO3 and a molecular weight of 229.66 g/mol. Its IUPAC name is methyl 4-(2-aminoacetyl)benzoate;hydrochloride.

Molecular Properties

Compound Namemethyl 4-(2-aminoacetyl)benzoate;hydrochloride
PubChem CID67046619
Molecular FormulaC10H12ClNO3
Molecular Weight229.66 g/mol
Exact Mass229.05
IUPAC Namemethyl 4-(2-aminoacetyl)benzoate;hydrochloride
SMILESCOC(=O)c1ccc(C(=O)CN)cc1.Cl
InChIInChI=1S/C10H11NO3.ClH/c1-14-10(13)8-4-2-7(3-5-8)9(12)6-11;/h2-5H,6,11H2,1H3;1H
InChIKeyIFMUQUIQAWPJBQ-UHFFFAOYSA-N
XLogP1.04
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.66
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-aminoacetyl)benzoate;hydrochloride?
The IUPAC name of methyl 4-(2-aminoacetyl)benzoate;hydrochloride (CID 67046619) is methyl 4-(2-aminoacetyl)benzoate;hydrochloride.
What is the SMILES notation for methyl 4-(2-aminoacetyl)benzoate;hydrochloride?
The canonical SMILES for methyl 4-(2-aminoacetyl)benzoate;hydrochloride is COC(=O)c1ccc(C(=O)CN)cc1.Cl.
What is the InChIKey of methyl 4-(2-aminoacetyl)benzoate;hydrochloride?
The InChIKey is IFMUQUIQAWPJBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3.ClH/c1-14-10(13)8-4-2-7(3-5-8)9(12)6-11;/h2-5H,6,11H2,1H3;1H.
What are the key properties of methyl 4-(2-aminoacetyl)benzoate;hydrochloride?
methyl 4-(2-aminoacetyl)benzoate;hydrochloride has a molecular weight of 229.66 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-aminoacetyl)benzoate;hydrochloride is sourced from PubChem (CID 67046619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).