2-amino-2-(2,3,4-trimethoxy-6-methylphenyl)acetic acid

C12H17NO5 — CID 22309144

IUPAC2-amino-2-(2,3,4-trimethoxy-6-methylphenyl)acetic acid
SMILESCOc1cc(C)c(C(N)C(=O)O)c(OC)c1OC
InChIInChI=1S/C12H17NO5/c1-6-5-7(16-2)10(17-3)11(18-4)8(6)9(13)12(14)15/h5,9H,13H2,1-4H3,(H,14,15)
InChIKeyQLAYNQAHFCKJLC-UHFFFAOYSA-N
MW255.27 g/mol
LogP1.11
Rot. Bonds5

About 2-amino-2-(2,3,4-trimethoxy-6-methylphenyl)acetic acid

2-amino-2-(2,3,4-trimethoxy-6-methylphenyl)acetic acid (PubChem CID 22309144) has the molecular formula C12H17NO5 and a molecular weight of 255.27 g/mol. Its IUPAC name is 2-amino-2-(2,3,4-trimethoxy-6-methylphenyl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(2,3,4-trimethoxy-6-methylphenyl)acetic acid
PubChem CID22309144
Molecular FormulaC12H17NO5
Molecular Weight255.27 g/mol
Exact Mass255.11
IUPAC Name2-amino-2-(2,3,4-trimethoxy-6-methylphenyl)acetic acid
SMILESCOc1cc(C)c(C(N)C(=O)O)c(OC)c1OC
InChIInChI=1S/C12H17NO5/c1-6-5-7(16-2)10(17-3)11(18-4)8(6)9(13)12(14)15/h5,9H,13H2,1-4H3,(H,14,15)
InChIKeyQLAYNQAHFCKJLC-UHFFFAOYSA-N
XLogP1.11
TPSA91.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-2-(6-chloro-2,3,4-trimethoxyphenyl)acetic acid
CID 117441313
2-amino-2-(4-bromo-2,3-dimethoxy-6-methylphenyl)acetic acid
CID 117488957
2-amino-2-(3,4,5-trimethoxyphenyl)acetic acid
CID 5100265
methyl 2-amino-2-(4-methoxy-2,3,6-trimethylphenyl)acetate
CID 116856970
2-(2-chloro-3,4-dimethoxy-6-methylphenyl)propanoic acid
CID 117400482
2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(2,3,4-trimethoxy-6-methylphenyl)acetic acid
CID 22309187
3-amino-3-(2-chloro-3,4-dimethoxy-6-methylphenyl)propanoic acid
CID 117437002
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-amino-2-(4-methoxy-2,6-dimethyl-3-pyridinyl)acetic acid
CID 84677594
2-amino-2-(2-bromo-3-methoxy-6-methylphenyl)acetic acid
CID 84713752
(2S)-2-amino-2-(4-hydroxy-2,6-dimethylphenyl)acetic acid
CID 14550068

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(2,3,4-trimethoxy-6-methylphenyl)acetic acid?
The IUPAC name of 2-amino-2-(2,3,4-trimethoxy-6-methylphenyl)acetic acid (CID 22309144) is 2-amino-2-(2,3,4-trimethoxy-6-methylphenyl)acetic acid.
What is the SMILES notation for 2-amino-2-(2,3,4-trimethoxy-6-methylphenyl)acetic acid?
The canonical SMILES for 2-amino-2-(2,3,4-trimethoxy-6-methylphenyl)acetic acid is COc1cc(C)c(C(N)C(=O)O)c(OC)c1OC.
What is the InChIKey of 2-amino-2-(2,3,4-trimethoxy-6-methylphenyl)acetic acid?
The InChIKey is QLAYNQAHFCKJLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO5/c1-6-5-7(16-2)10(17-3)11(18-4)8(6)9(13)12(14)15/h5,9H,13H2,1-4H3,(H,14,15).
What are the key properties of 2-amino-2-(2,3,4-trimethoxy-6-methylphenyl)acetic acid?
2-amino-2-(2,3,4-trimethoxy-6-methylphenyl)acetic acid has a molecular weight of 255.27 g/mol, XLogP of 1.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(2,3,4-trimethoxy-6-methylphenyl)acetic acid is sourced from PubChem (CID 22309144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).