2-[methyl-[(4-methylphenyl)methyl]amino]acetic acid;hydrochloride

C11H16ClNO2 — CID 75530890

IUPAC2-[methyl-[(4-methylphenyl)methyl]amino]acetic acid;hydrochloride
SMILESCc1ccc(CN(C)CC(=O)O)cc1.Cl
InChIInChI=1S/C11H15NO2.ClH/c1-9-3-5-10(6-4-9)7-12(2)8-11(13)14;/h3-6H,7-8H2,1-2H3,(H,13,14);1H
InChIKeyRVWHVQVXZJOGES-UHFFFAOYSA-N
MW229.71 g/mol
LogP1.93
Rot. Bonds4

About 2-[methyl-[(4-methylphenyl)methyl]amino]acetic acid;hydrochloride

2-[methyl-[(4-methylphenyl)methyl]amino]acetic acid;hydrochloride (PubChem CID 75530890) has the molecular formula C11H16ClNO2 and a molecular weight of 229.71 g/mol. Its IUPAC name is 2-[methyl-[(4-methylphenyl)methyl]amino]acetic acid;hydrochloride.

Molecular Properties

Compound Name2-[methyl-[(4-methylphenyl)methyl]amino]acetic acid;hydrochloride
PubChem CID75530890
Molecular FormulaC11H16ClNO2
Molecular Weight229.71 g/mol
Exact Mass229.09
IUPAC Name2-[methyl-[(4-methylphenyl)methyl]amino]acetic acid;hydrochloride
SMILESCc1ccc(CN(C)CC(=O)O)cc1.Cl
InChIInChI=1S/C11H15NO2.ClH/c1-9-3-5-10(6-4-9)7-12(2)8-11(13)14;/h3-6H,7-8H2,1-2H3,(H,13,14);1H
InChIKeyRVWHVQVXZJOGES-UHFFFAOYSA-N
XLogP1.93
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(4-methylphenyl)methyl]amino]acetic acid;hydrochloride?
The IUPAC name of 2-[methyl-[(4-methylphenyl)methyl]amino]acetic acid;hydrochloride (CID 75530890) is 2-[methyl-[(4-methylphenyl)methyl]amino]acetic acid;hydrochloride.
What is the SMILES notation for 2-[methyl-[(4-methylphenyl)methyl]amino]acetic acid;hydrochloride?
The canonical SMILES for 2-[methyl-[(4-methylphenyl)methyl]amino]acetic acid;hydrochloride is Cc1ccc(CN(C)CC(=O)O)cc1.Cl.
What is the InChIKey of 2-[methyl-[(4-methylphenyl)methyl]amino]acetic acid;hydrochloride?
The InChIKey is RVWHVQVXZJOGES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2.ClH/c1-9-3-5-10(6-4-9)7-12(2)8-11(13)14;/h3-6H,7-8H2,1-2H3,(H,13,14);1H.
What are the key properties of 2-[methyl-[(4-methylphenyl)methyl]amino]acetic acid;hydrochloride?
2-[methyl-[(4-methylphenyl)methyl]amino]acetic acid;hydrochloride has a molecular weight of 229.71 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(4-methylphenyl)methyl]amino]acetic acid;hydrochloride is sourced from PubChem (CID 75530890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).