2-(3-ethyl-4-methoxyphenyl)-2-(methylamino)acetic acid

C12H17NO3 — CID 82473167

IUPAC2-(3-ethyl-4-methoxyphenyl)-2-(methylamino)acetic acid
SMILESCCc1cc(C(NC)C(=O)O)ccc1OC
InChIInChI=1S/C12H17NO3/c1-4-8-7-9(5-6-10(8)16-3)11(13-2)12(14)15/h5-7,11,13H,4H2,1-3H3,(H,14,15)
InChIKeyWHRZZISQQWSVKY-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.60
Rot. Bonds5

About 2-(3-ethyl-4-methoxyphenyl)-2-(methylamino)acetic acid

2-(3-ethyl-4-methoxyphenyl)-2-(methylamino)acetic acid (PubChem CID 82473167) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 2-(3-ethyl-4-methoxyphenyl)-2-(methylamino)acetic acid.

Molecular Properties

Compound Name2-(3-ethyl-4-methoxyphenyl)-2-(methylamino)acetic acid
PubChem CID82473167
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name2-(3-ethyl-4-methoxyphenyl)-2-(methylamino)acetic acid
SMILESCCc1cc(C(NC)C(=O)O)ccc1OC
InChIInChI=1S/C12H17NO3/c1-4-8-7-9(5-6-10(8)16-3)11(13-2)12(14)15/h5-7,11,13H,4H2,1-3H3,(H,14,15)
InChIKeyWHRZZISQQWSVKY-UHFFFAOYSA-N
XLogP1.60
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(3-ethyl-4-methoxyphenyl)-2-(methylamino)acetate
CID 116856998
ethyl 2-(3-ethyl-4-methoxyphenyl)-2-(methylamino)acetate
CID 116961319
2-cyano-2-(3-ethyl-4-methoxyphenyl)acetic acid
CID 82114135
1-(3-ethyl-4-methoxyphenyl)ethanol
CID 83529963
4-(difluoromethyl)-2-ethyl-1-methoxybenzene
CID 176934725
1-(3-ethyl-4-methoxyphenyl)ethane-1,2-diol
CID 82281977
2-(methylamino)-2-(3-methyl-4-propan-2-yloxyphenyl)acetic acid
CID 82476689
1-(3-ethyl-4-methoxyphenyl)-N,N'-dimethylbutane-1,4-diamine
CID 116949448
methyl 4-amino-4-(3-ethyl-4-methoxyphenyl)butanoate
CID 116940192
2-(3,4-dimethoxyphenyl)-2-(propan-2-ylamino)acetic acid
CID 43754348
2-(ethylamino)-1-(3-ethyl-4-methoxyphenyl)propan-1-ol
CID 112512326
1-[amino-(3-ethyl-4-methoxyphenyl)methyl]cyclopropane-1-carboxylic acid
CID 116943091

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-4-methoxyphenyl)-2-(methylamino)acetic acid?
The IUPAC name of 2-(3-ethyl-4-methoxyphenyl)-2-(methylamino)acetic acid (CID 82473167) is 2-(3-ethyl-4-methoxyphenyl)-2-(methylamino)acetic acid.
What is the SMILES notation for 2-(3-ethyl-4-methoxyphenyl)-2-(methylamino)acetic acid?
The canonical SMILES for 2-(3-ethyl-4-methoxyphenyl)-2-(methylamino)acetic acid is CCc1cc(C(NC)C(=O)O)ccc1OC.
What is the InChIKey of 2-(3-ethyl-4-methoxyphenyl)-2-(methylamino)acetic acid?
The InChIKey is WHRZZISQQWSVKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-4-8-7-9(5-6-10(8)16-3)11(13-2)12(14)15/h5-7,11,13H,4H2,1-3H3,(H,14,15).
What are the key properties of 2-(3-ethyl-4-methoxyphenyl)-2-(methylamino)acetic acid?
2-(3-ethyl-4-methoxyphenyl)-2-(methylamino)acetic acid has a molecular weight of 223.27 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-4-methoxyphenyl)-2-(methylamino)acetic acid is sourced from PubChem (CID 82473167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).