2-[2-amino-2-(2,5-dimethoxyphenyl)ethoxy]acetic acid

C12H17NO5 — CID 61327016

IUPAC2-[2-amino-2-(2,5-dimethoxyphenyl)ethoxy]acetic acid
SMILESCOc1ccc(OC)c(C(N)COCC(=O)O)c1
InChIInChI=1S/C12H17NO5/c1-16-8-3-4-11(17-2)9(5-8)10(13)6-18-7-12(14)15/h3-5,10H,6-7,13H2,1-2H3,(H,14,15)
InChIKeyGDSSFDUMOMEDQV-UHFFFAOYSA-N
MW255.27 g/mol
LogP0.80
Rot. Bonds7

About 2-[2-amino-2-(2,5-dimethoxyphenyl)ethoxy]acetic acid

2-[2-amino-2-(2,5-dimethoxyphenyl)ethoxy]acetic acid (PubChem CID 61327016) has the molecular formula C12H17NO5 and a molecular weight of 255.27 g/mol. Its IUPAC name is 2-[2-amino-2-(2,5-dimethoxyphenyl)ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-amino-2-(2,5-dimethoxyphenyl)ethoxy]acetic acid
PubChem CID61327016
Molecular FormulaC12H17NO5
Molecular Weight255.27 g/mol
Exact Mass255.11
IUPAC Name2-[2-amino-2-(2,5-dimethoxyphenyl)ethoxy]acetic acid
SMILESCOc1ccc(OC)c(C(N)COCC(=O)O)c1
InChIInChI=1S/C12H17NO5/c1-16-8-3-4-11(17-2)9(5-8)10(13)6-18-7-12(14)15/h3-5,10H,6-7,13H2,1-2H3,(H,14,15)
InChIKeyGDSSFDUMOMEDQV-UHFFFAOYSA-N
XLogP0.80
TPSA91.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(2,5-dimethoxyphenyl)ethoxy]acetic acid
CID 112514494
3,4-diamino-4-(2,5-dimethoxyphenyl)butanoic acid
CID 116942774
1-(2,5-dimethoxyphenyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 16790008
1-(2,5-dimethoxyphenyl)-3-methoxypropan-1-amine
CID 62801010
(4R)-4-amino-4-(2,5-dimethoxyphenyl)butan-1-ol;hydrochloride
CID 171200259
amino-(2,5-dimethoxyphenyl)methanol
CID 116939586
1-(2,5-dimethoxyphenyl)-N'-methylethane-1,2-diamine
CID 116932428
1-(2,5-dimethoxyphenyl)butan-1-amine;hydrochloride
CID 86262898
4-(2,5-dimethoxyphenyl)-4-hydroxybutanoic acid
CID 6493924
dimethyl 2-(2,5-dimethoxyphenyl)propanedioate
CID 94278774
ethyl 2-[2-amino-2-(5-bromo-2-methoxyphenyl)ethoxy]acetate
CID 61327800
(1S)-1-(2,5-dimethoxyphenyl)pentan-1-amine;hydrochloride
CID 171219764

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-2-(2,5-dimethoxyphenyl)ethoxy]acetic acid?
The IUPAC name of 2-[2-amino-2-(2,5-dimethoxyphenyl)ethoxy]acetic acid (CID 61327016) is 2-[2-amino-2-(2,5-dimethoxyphenyl)ethoxy]acetic acid.
What is the SMILES notation for 2-[2-amino-2-(2,5-dimethoxyphenyl)ethoxy]acetic acid?
The canonical SMILES for 2-[2-amino-2-(2,5-dimethoxyphenyl)ethoxy]acetic acid is COc1ccc(OC)c(C(N)COCC(=O)O)c1.
What is the InChIKey of 2-[2-amino-2-(2,5-dimethoxyphenyl)ethoxy]acetic acid?
The InChIKey is GDSSFDUMOMEDQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO5/c1-16-8-3-4-11(17-2)9(5-8)10(13)6-18-7-12(14)15/h3-5,10H,6-7,13H2,1-2H3,(H,14,15).
What are the key properties of 2-[2-amino-2-(2,5-dimethoxyphenyl)ethoxy]acetic acid?
2-[2-amino-2-(2,5-dimethoxyphenyl)ethoxy]acetic acid has a molecular weight of 255.27 g/mol, XLogP of 0.80, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-2-(2,5-dimethoxyphenyl)ethoxy]acetic acid is sourced from PubChem (CID 61327016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).