2-amino-2-(5-ethyl-2,3-dimethoxyphenyl)acetic acid

C12H17NO4 — CID 117350532

IUPAC2-amino-2-(5-ethyl-2,3-dimethoxyphenyl)acetic acid
SMILESCCc1cc(OC)c(OC)c(C(N)C(=O)O)c1
InChIInChI=1S/C12H17NO4/c1-4-7-5-8(10(13)12(14)15)11(17-3)9(6-7)16-2/h5-6,10H,4,13H2,1-3H3,(H,14,15)
InChIKeySQJPPYPPRORUMZ-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.35
Rot. Bonds5

About 2-amino-2-(5-ethyl-2,3-dimethoxyphenyl)acetic acid

2-amino-2-(5-ethyl-2,3-dimethoxyphenyl)acetic acid (PubChem CID 117350532) has the molecular formula C12H17NO4 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-amino-2-(5-ethyl-2,3-dimethoxyphenyl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(5-ethyl-2,3-dimethoxyphenyl)acetic acid
PubChem CID117350532
Molecular FormulaC12H17NO4
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC Name2-amino-2-(5-ethyl-2,3-dimethoxyphenyl)acetic acid
SMILESCCc1cc(OC)c(OC)c(C(N)C(=O)O)c1
InChIInChI=1S/C12H17NO4/c1-4-7-5-8(10(13)12(14)15)11(17-3)9(6-7)16-2/h5-6,10H,4,13H2,1-3H3,(H,14,15)
InChIKeySQJPPYPPRORUMZ-UHFFFAOYSA-N
XLogP1.35
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-ethyl-2,3-dimethoxyphenyl)-2-hydroxyacetic acid
CID 117352962
methyl 2-(5-ethyl-2,3-dimethoxyphenyl)-2-hydroxyacetate
CID 117388910
2-amino-2-(2,3-dimethoxy-5-methoxycarbonylphenyl)acetic acid
CID 117426052
2-amino-2-(5-tert-butyl-2,3-dimethoxyphenyl)acetic acid
CID 117421670
2-amino-2-(2-ethyl-3,4-dimethoxyphenyl)acetic acid
CID 117350529
3-cyclopropyl-3-(5-ethyl-2,3-dimethoxyphenyl)propanoic acid
CID 117446254
2-amino-2-(3,4,5-trimethoxyphenyl)acetic acid
CID 5100265
2-amino-2-(5-ethyl-2,3-difluorophenyl)acetic acid
CID 117306246
2-amino-2-(3-chloro-2-hydroxy-4,5-dimethoxyphenyl)acetic acid
CID 117408925
2-amino-2-(3-chloro-4,5-dimethoxy-2-methylphenyl)acetic acid
CID 117403292
2-amino-2-(3-bromo-4,5-dimethoxy-2-methylphenyl)acetic acid
CID 117488962
2-(3-chloro-5-ethyl-2-methoxyphenyl)propanoic acid
CID 83899438

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(5-ethyl-2,3-dimethoxyphenyl)acetic acid?
The IUPAC name of 2-amino-2-(5-ethyl-2,3-dimethoxyphenyl)acetic acid (CID 117350532) is 2-amino-2-(5-ethyl-2,3-dimethoxyphenyl)acetic acid.
What is the SMILES notation for 2-amino-2-(5-ethyl-2,3-dimethoxyphenyl)acetic acid?
The canonical SMILES for 2-amino-2-(5-ethyl-2,3-dimethoxyphenyl)acetic acid is CCc1cc(OC)c(OC)c(C(N)C(=O)O)c1.
What is the InChIKey of 2-amino-2-(5-ethyl-2,3-dimethoxyphenyl)acetic acid?
The InChIKey is SQJPPYPPRORUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4/c1-4-7-5-8(10(13)12(14)15)11(17-3)9(6-7)16-2/h5-6,10H,4,13H2,1-3H3,(H,14,15).
What are the key properties of 2-amino-2-(5-ethyl-2,3-dimethoxyphenyl)acetic acid?
2-amino-2-(5-ethyl-2,3-dimethoxyphenyl)acetic acid has a molecular weight of 239.27 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(5-ethyl-2,3-dimethoxyphenyl)acetic acid is sourced from PubChem (CID 117350532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).