2-[2-(2,5-dimethoxyphenyl)ethyl-methylamino]acetic acid

C13H19NO4 — CID 94270324

IUPAC2-[2-(2,5-dimethoxyphenyl)ethyl-methylamino]acetic acid
SMILESCOc1ccc(OC)c(CCN(C)CC(=O)O)c1
InChIInChI=1S/C13H19NO4/c1-14(9-13(15)16)7-6-10-8-11(17-2)4-5-12(10)18-3/h4-5,8H,6-7,9H2,1-3H3,(H,15,16)
InChIKeyVUUWQJUEFKHYHH-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.26
Rot. Bonds7

About 2-[2-(2,5-dimethoxyphenyl)ethyl-methylamino]acetic acid

2-[2-(2,5-dimethoxyphenyl)ethyl-methylamino]acetic acid (PubChem CID 94270324) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-[2-(2,5-dimethoxyphenyl)ethyl-methylamino]acetic acid.

Molecular Properties

Compound Name2-[2-(2,5-dimethoxyphenyl)ethyl-methylamino]acetic acid
PubChem CID94270324
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC Name2-[2-(2,5-dimethoxyphenyl)ethyl-methylamino]acetic acid
SMILESCOc1ccc(OC)c(CCN(C)CC(=O)O)c1
InChIInChI=1S/C13H19NO4/c1-14(9-13(15)16)7-6-10-8-11(17-2)4-5-12(10)18-3/h4-5,8H,6-7,9H2,1-3H3,(H,15,16)
InChIKeyVUUWQJUEFKHYHH-UHFFFAOYSA-N
XLogP1.26
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(5-fluoro-2-methoxyphenyl)ethyl-methylamino]acetic acid
CID 112518374
2-[2-(5-chloro-2-methoxyphenyl)ethyl-methylamino]acetic acid
CID 112519079
2-[2-(5-ethyl-2-methoxyphenyl)ethyl-methylamino]acetic acid
CID 115005474
N-(2-chloroethyl)-2-(2,5-dimethoxyphenyl)-N-methylethanamine
CID 94272315
2-(2,5-dimethoxyphenyl)ethyl-methylcarbamothioic S-acid
CID 115170385
2-[(2,4-dimethoxyphenyl)methyl-methylamino]acetic acid
CID 60712632
N-[2-(2,5-dimethoxyphenyl)ethyl]-2-hydroxy-N-methylpropanamide
CID 115141026
2-[(2,5-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]acetic acid
CID 39382765
2-[2-(2,5-dimethoxyphenyl)ethyl-methylamino]-2-methylpropan-1-ol
CID 115133642
2-[(2,5-dimethoxyphenyl)methyl-prop-2-enylamino]acetic acid
CID 39364528
2-[2-(5-bromo-2-methoxyphenyl)ethyl-methylamino]acetamide
CID 115260219
2-(2,5-dimethoxyphenyl)ethyl-methylcyanamide
CID 117043452

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,5-dimethoxyphenyl)ethyl-methylamino]acetic acid?
The IUPAC name of 2-[2-(2,5-dimethoxyphenyl)ethyl-methylamino]acetic acid (CID 94270324) is 2-[2-(2,5-dimethoxyphenyl)ethyl-methylamino]acetic acid.
What is the SMILES notation for 2-[2-(2,5-dimethoxyphenyl)ethyl-methylamino]acetic acid?
The canonical SMILES for 2-[2-(2,5-dimethoxyphenyl)ethyl-methylamino]acetic acid is COc1ccc(OC)c(CCN(C)CC(=O)O)c1.
What is the InChIKey of 2-[2-(2,5-dimethoxyphenyl)ethyl-methylamino]acetic acid?
The InChIKey is VUUWQJUEFKHYHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-14(9-13(15)16)7-6-10-8-11(17-2)4-5-12(10)18-3/h4-5,8H,6-7,9H2,1-3H3,(H,15,16).
What are the key properties of 2-[2-(2,5-dimethoxyphenyl)ethyl-methylamino]acetic acid?
2-[2-(2,5-dimethoxyphenyl)ethyl-methylamino]acetic acid has a molecular weight of 253.30 g/mol, XLogP of 1.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,5-dimethoxyphenyl)ethyl-methylamino]acetic acid is sourced from PubChem (CID 94270324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).