2-[methyl-[2-(4-methylphenoxy)ethyl]amino]acetic acid

C12H17NO3 — CID 43386105

IUPAC2-[methyl-[2-(4-methylphenoxy)ethyl]amino]acetic acid
SMILESCc1ccc(OCCN(C)CC(=O)O)cc1
InChIInChI=1S/C12H17NO3/c1-10-3-5-11(6-4-10)16-8-7-13(2)9-12(14)15/h3-6H,7-9H2,1-2H3,(H,14,15)
InChIKeyNNNLAFKDXJCDDD-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.39
Rot. Bonds6

About 2-[methyl-[2-(4-methylphenoxy)ethyl]amino]acetic acid

2-[methyl-[2-(4-methylphenoxy)ethyl]amino]acetic acid (PubChem CID 43386105) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 2-[methyl-[2-(4-methylphenoxy)ethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-[2-(4-methylphenoxy)ethyl]amino]acetic acid
PubChem CID43386105
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name2-[methyl-[2-(4-methylphenoxy)ethyl]amino]acetic acid
SMILESCc1ccc(OCCN(C)CC(=O)O)cc1
InChIInChI=1S/C12H17NO3/c1-10-3-5-11(6-4-10)16-8-7-13(2)9-12(14)15/h3-6H,7-9H2,1-2H3,(H,14,15)
InChIKeyNNNLAFKDXJCDDD-UHFFFAOYSA-N
XLogP1.39
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl(2-phenoxyethyl)amino]acetic acid;hydrochloride
CID 170904752
2-[2-(4-methylphenoxy)ethyl-propylamino]acetic acid
CID 61007102
2-[methyl-[3-(4-methylphenoxy)propanoyl]amino]acetic acid
CID 43239733
2-[2-(4-methylphenoxy)ethyl-prop-2-enylamino]acetic acid
CID 79276865
N-(benzylcarbamoyl)-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]acetamide
CID 26429400
N-cyclohexyl-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]acetamide
CID 26429189
2-[2-(3-bromophenoxy)ethyl-methylamino]acetic acid
CID 43442338
2-[methyl-[3-(4-methylsulfonylphenoxy)propyl]amino]acetic acid
CID 119134958
N-(2-cyanoethyl)-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]acetamide
CID 18124582
N-methyl-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 60676178
2-[methyl-[3-[methyl-[(4-methylphenyl)methyl]amino]propyl]amino]acetic acid
CID 155421471
N-(2-acetylphenyl)-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]acetamide
CID 26429305

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-(4-methylphenoxy)ethyl]amino]acetic acid?
The IUPAC name of 2-[methyl-[2-(4-methylphenoxy)ethyl]amino]acetic acid (CID 43386105) is 2-[methyl-[2-(4-methylphenoxy)ethyl]amino]acetic acid.
What is the SMILES notation for 2-[methyl-[2-(4-methylphenoxy)ethyl]amino]acetic acid?
The canonical SMILES for 2-[methyl-[2-(4-methylphenoxy)ethyl]amino]acetic acid is Cc1ccc(OCCN(C)CC(=O)O)cc1.
What is the InChIKey of 2-[methyl-[2-(4-methylphenoxy)ethyl]amino]acetic acid?
The InChIKey is NNNLAFKDXJCDDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-10-3-5-11(6-4-10)16-8-7-13(2)9-12(14)15/h3-6H,7-9H2,1-2H3,(H,14,15).
What are the key properties of 2-[methyl-[2-(4-methylphenoxy)ethyl]amino]acetic acid?
2-[methyl-[2-(4-methylphenoxy)ethyl]amino]acetic acid has a molecular weight of 223.27 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-(4-methylphenoxy)ethyl]amino]acetic acid is sourced from PubChem (CID 43386105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).