2-[acetyl(methyl)amino]-2-(3-ethoxy-4-hydroxyphenyl)acetic acid

C13H17NO5 — CID 63704025

IUPAC2-[acetyl(methyl)amino]-2-(3-ethoxy-4-hydroxyphenyl)acetic acid
SMILESCCOc1cc(C(C(=O)O)N(C)C(C)=O)ccc1O
InChIInChI=1S/C13H17NO5/c1-4-19-11-7-9(5-6-10(11)16)12(13(17)18)14(3)8(2)15/h5-7,12,16H,4H2,1-3H3,(H,17,18)
InChIKeyMCCBBXMGRTZACO-UHFFFAOYSA-N
MW267.28 g/mol
LogP1.39
Rot. Bonds5

About 2-[acetyl(methyl)amino]-2-(3-ethoxy-4-hydroxyphenyl)acetic acid

2-[acetyl(methyl)amino]-2-(3-ethoxy-4-hydroxyphenyl)acetic acid (PubChem CID 63704025) has the molecular formula C13H17NO5 and a molecular weight of 267.28 g/mol. Its IUPAC name is 2-[acetyl(methyl)amino]-2-(3-ethoxy-4-hydroxyphenyl)acetic acid.

Molecular Properties

Compound Name2-[acetyl(methyl)amino]-2-(3-ethoxy-4-hydroxyphenyl)acetic acid
PubChem CID63704025
Molecular FormulaC13H17NO5
Molecular Weight267.28 g/mol
Exact Mass267.11
IUPAC Name2-[acetyl(methyl)amino]-2-(3-ethoxy-4-hydroxyphenyl)acetic acid
SMILESCCOc1cc(C(C(=O)O)N(C)C(C)=O)ccc1O
InChIInChI=1S/C13H17NO5/c1-4-19-11-7-9(5-6-10(11)16)12(13(17)18)14(3)8(2)15/h5-7,12,16H,4H2,1-3H3,(H,17,18)
InChIKeyMCCBBXMGRTZACO-UHFFFAOYSA-N
XLogP1.39
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[acetyl(methyl)amino]-2-(3-ethoxy-4-hydroxyphenyl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[acetyl(ethyl)amino]-2-(3-ethoxy-4-hydroxyphenyl)acetic acid
CID 63701701
2-[(3-ethoxy-4-hydroxyphenyl)-hydroxymethyl]pentanoic acid
CID 83043577
N-[1-(3-ethoxy-4-hydroxyphenyl)-2-methylpropyl]acetamide
CID 58190079
3-(3-ethoxy-4-hydroxyphenyl)-2-(4-ethoxy-3-methylphenyl)propanoic acid
CID 83954170
2-[acetyl(methyl)amino]-2-(3-chloro-4-fluorophenyl)acetic acid
CID 81146137
4-(3-ethoxy-4-hydroxyphenyl)butan-2-one
CID 45094126
3-(3-ethoxy-4-hydroxyphenyl)-2-oxopropanoic acid
CID 16781603
2-[acetyl(methyl)amino]-2-(2-methoxyphenyl)acetic acid
CID 63701934
3-chloro-1-(3-ethoxy-4-hydroxyphenyl)propane-1,2-diol
CID 171863348
4-[(1S)-1-amino-3-methylbut-3-enyl]-2-ethoxyphenol;hydrochloride
CID 171220395
2-(3-ethoxy-4-hydroxyphenyl)-2-hydroxyacetic acid;2-(2-methylprop-2-enoyloxy)ethyl 3-oxobutanoate
CID 131740794
2-[(3-ethoxy-4-hydroxyphenyl)methylamino]pentanoic acid
CID 65055711

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(methyl)amino]-2-(3-ethoxy-4-hydroxyphenyl)acetic acid?
The IUPAC name of 2-[acetyl(methyl)amino]-2-(3-ethoxy-4-hydroxyphenyl)acetic acid (CID 63704025) is 2-[acetyl(methyl)amino]-2-(3-ethoxy-4-hydroxyphenyl)acetic acid.
What is the SMILES notation for 2-[acetyl(methyl)amino]-2-(3-ethoxy-4-hydroxyphenyl)acetic acid?
The canonical SMILES for 2-[acetyl(methyl)amino]-2-(3-ethoxy-4-hydroxyphenyl)acetic acid is CCOc1cc(C(C(=O)O)N(C)C(C)=O)ccc1O.
What is the InChIKey of 2-[acetyl(methyl)amino]-2-(3-ethoxy-4-hydroxyphenyl)acetic acid?
The InChIKey is MCCBBXMGRTZACO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO5/c1-4-19-11-7-9(5-6-10(11)16)12(13(17)18)14(3)8(2)15/h5-7,12,16H,4H2,1-3H3,(H,17,18).
What are the key properties of 2-[acetyl(methyl)amino]-2-(3-ethoxy-4-hydroxyphenyl)acetic acid?
2-[acetyl(methyl)amino]-2-(3-ethoxy-4-hydroxyphenyl)acetic acid has a molecular weight of 267.28 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(methyl)amino]-2-(3-ethoxy-4-hydroxyphenyl)acetic acid is sourced from PubChem (CID 63704025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).