2-[(2-ethoxyphenyl)methyl-(2-methoxyethyl)amino]acetic acid

C14H21NO4 — CID 39366056

IUPAC2-[(2-ethoxyphenyl)methyl-(2-methoxyethyl)amino]acetic acid
SMILESCCOc1ccccc1CN(CCOC)CC(=O)O
InChIInChI=1S/C14H21NO4/c1-3-19-13-7-5-4-6-12(13)10-15(8-9-18-2)11-14(16)17/h4-7H,3,8-11H2,1-2H3,(H,16,17)
InChIKeyBVCIXKBIQILXFO-UHFFFAOYSA-N
MW267.32 g/mol
LogP1.62
Rot. Bonds9

About 2-[(2-ethoxyphenyl)methyl-(2-methoxyethyl)amino]acetic acid

2-[(2-ethoxyphenyl)methyl-(2-methoxyethyl)amino]acetic acid (PubChem CID 39366056) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is 2-[(2-ethoxyphenyl)methyl-(2-methoxyethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-ethoxyphenyl)methyl-(2-methoxyethyl)amino]acetic acid
PubChem CID39366056
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Name2-[(2-ethoxyphenyl)methyl-(2-methoxyethyl)amino]acetic acid
SMILESCCOc1ccccc1CN(CCOC)CC(=O)O
InChIInChI=1S/C14H21NO4/c1-3-19-13-7-5-4-6-12(13)10-15(8-9-18-2)11-14(16)17/h4-7H,3,8-11H2,1-2H3,(H,16,17)
InChIKeyBVCIXKBIQILXFO-UHFFFAOYSA-N
XLogP1.62
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-methoxyethyl-[(2-prop-2-enylphenyl)methyl]amino]acetic acid
CID 167917208
2-[[2-(methoxymethoxy)phenyl]methyl-[2-[[[2-(methoxymethoxy)phenyl]methyl-methylcarbamoyl]-methylamino]ethyl]amino]acetic acid
CID 67702801
2-[(2,5-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]acetic acid
CID 39382765
2-[(5-fluoro-2-hydroxyphenyl)methyl-(2-methoxyethyl)amino]acetic acid
CID 107701809
2-[benzyl-[(2-methoxyphenyl)methyl]amino]acetic acid
CID 39385257
methyl 3-[(2-ethoxyphenyl)methyl-methylamino]propanoate
CID 60965925
2-[2-methoxyethyl-[(4-methylphenyl)methyl]amino]acetic acid
CID 54968853
2-bromo-N-[(2-ethoxyphenyl)methyl]-N-methylacetamide
CID 63678589
2-[2-[[2-(1-acetyloxy-2-methylpropoxy)-2-oxoethyl]-[[2-(methoxymethoxy)phenyl]methyl]amino]ethyl-[[2-(methoxymethoxy)phenyl]methyl]amino]acetic acid
CID 67702806
2-amino-N-[(2-ethoxyphenyl)methyl]-4-methoxy-N-methylbutanamide
CID 62474844
2-[benzyl(4-methoxybutyl)amino]acetic acid
CID 119134936
N-[(2-ethoxyphenyl)methyl]-N-ethyl-2-methylprop-2-en-1-amine
CID 112796331

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethoxyphenyl)methyl-(2-methoxyethyl)amino]acetic acid?
The IUPAC name of 2-[(2-ethoxyphenyl)methyl-(2-methoxyethyl)amino]acetic acid (CID 39366056) is 2-[(2-ethoxyphenyl)methyl-(2-methoxyethyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-ethoxyphenyl)methyl-(2-methoxyethyl)amino]acetic acid?
The canonical SMILES for 2-[(2-ethoxyphenyl)methyl-(2-methoxyethyl)amino]acetic acid is CCOc1ccccc1CN(CCOC)CC(=O)O.
What is the InChIKey of 2-[(2-ethoxyphenyl)methyl-(2-methoxyethyl)amino]acetic acid?
The InChIKey is BVCIXKBIQILXFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-3-19-13-7-5-4-6-12(13)10-15(8-9-18-2)11-14(16)17/h4-7H,3,8-11H2,1-2H3,(H,16,17).
What are the key properties of 2-[(2-ethoxyphenyl)methyl-(2-methoxyethyl)amino]acetic acid?
2-[(2-ethoxyphenyl)methyl-(2-methoxyethyl)amino]acetic acid has a molecular weight of 267.32 g/mol, XLogP of 1.62, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethoxyphenyl)methyl-(2-methoxyethyl)amino]acetic acid is sourced from PubChem (CID 39366056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).