2-[(4-ethoxyphenyl)methyl-methylamino]acetic acid

C12H17NO3 — CID 39245612

IUPAC2-[(4-ethoxyphenyl)methyl-methylamino]acetic acid
SMILESCCOc1ccc(CN(C)CC(=O)O)cc1
InChIInChI=1S/C12H17NO3/c1-3-16-11-6-4-10(5-7-11)8-13(2)9-12(14)15/h4-7H,3,8-9H2,1-2H3,(H,14,15)
InChIKeyGHJDMCOCEUWNAU-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.60
Rot. Bonds6

About 2-[(4-ethoxyphenyl)methyl-methylamino]acetic acid

2-[(4-ethoxyphenyl)methyl-methylamino]acetic acid (PubChem CID 39245612) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 2-[(4-ethoxyphenyl)methyl-methylamino]acetic acid.

Molecular Properties

Compound Name2-[(4-ethoxyphenyl)methyl-methylamino]acetic acid
PubChem CID39245612
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name2-[(4-ethoxyphenyl)methyl-methylamino]acetic acid
SMILESCCOc1ccc(CN(C)CC(=O)O)cc1
InChIInChI=1S/C12H17NO3/c1-3-16-11-6-4-10(5-7-11)8-13(2)9-12(14)15/h4-7H,3,8-9H2,1-2H3,(H,14,15)
InChIKeyGHJDMCOCEUWNAU-UHFFFAOYSA-N
XLogP1.60
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 ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-ethoxyphenyl)methyl-methylamino]-3-hydroxybutanoic acid
CID 115123071
2-[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl]sulfanylacetic acid
CID 115569435
N-benzhydryl-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide
CID 8024029
2-[(4-hydroxyphenyl)methyl-methylamino]acetic acid
CID 65056465
2-[(4-cyclopentyloxyphenyl)methyl-methylamino]acetic acid
CID 98017404
N-(2,6-dimethylphenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide
CID 8799242
N-[[(2R)-butan-2-yl]carbamoyl]-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide
CID 8799035
4-[[[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
CID 9124161
1-[(4-ethoxyphenyl)methyl-methylamino]propan-2-ol
CID 62335072
N-[(4-ethoxyphenyl)methyl]-2,2,2-trifluoro-N-methylethanamine
CID 115257940
2-[(4-ethoxyphenyl)methyl-methylamino]-N-(2-methylpropylcarbamoyl)acetamide
CID 27204242
2-[(4-ethylsulfonylphenyl)methyl-methylamino]acetic acid
CID 98018398

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethoxyphenyl)methyl-methylamino]acetic acid?
The IUPAC name of 2-[(4-ethoxyphenyl)methyl-methylamino]acetic acid (CID 39245612) is 2-[(4-ethoxyphenyl)methyl-methylamino]acetic acid.
What is the SMILES notation for 2-[(4-ethoxyphenyl)methyl-methylamino]acetic acid?
The canonical SMILES for 2-[(4-ethoxyphenyl)methyl-methylamino]acetic acid is CCOc1ccc(CN(C)CC(=O)O)cc1.
What is the InChIKey of 2-[(4-ethoxyphenyl)methyl-methylamino]acetic acid?
The InChIKey is GHJDMCOCEUWNAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-3-16-11-6-4-10(5-7-11)8-13(2)9-12(14)15/h4-7H,3,8-9H2,1-2H3,(H,14,15).
What are the key properties of 2-[(4-ethoxyphenyl)methyl-methylamino]acetic acid?
2-[(4-ethoxyphenyl)methyl-methylamino]acetic acid has a molecular weight of 223.27 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethoxyphenyl)methyl-methylamino]acetic acid is sourced from PubChem (CID 39245612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).