2-amino-2-(2,3-dimethoxy-5-methoxycarbonylphenyl)acetic acid

C12H15NO6 — CID 117426052

IUPAC2-amino-2-(2,3-dimethoxy-5-methoxycarbonylphenyl)acetic acid
SMILESCOC(=O)c1cc(OC)c(OC)c(C(N)C(=O)O)c1
InChIInChI=1S/C12H15NO6/c1-17-8-5-6(12(16)19-3)4-7(10(8)18-2)9(13)11(14)15/h4-5,9H,13H2,1-3H3,(H,14,15)
InChIKeyKAYCMCAJVKFSEE-UHFFFAOYSA-N
MW269.25 g/mol
LogP0.57
Rot. Bonds5

About 2-amino-2-(2,3-dimethoxy-5-methoxycarbonylphenyl)acetic acid

2-amino-2-(2,3-dimethoxy-5-methoxycarbonylphenyl)acetic acid (PubChem CID 117426052) has the molecular formula C12H15NO6 and a molecular weight of 269.25 g/mol. Its IUPAC name is 2-amino-2-(2,3-dimethoxy-5-methoxycarbonylphenyl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(2,3-dimethoxy-5-methoxycarbonylphenyl)acetic acid
PubChem CID117426052
Molecular FormulaC12H15NO6
Molecular Weight269.25 g/mol
Exact Mass269.09
IUPAC Name2-amino-2-(2,3-dimethoxy-5-methoxycarbonylphenyl)acetic acid
SMILESCOC(=O)c1cc(OC)c(OC)c(C(N)C(=O)O)c1
InChIInChI=1S/C12H15NO6/c1-17-8-5-6(12(16)19-3)4-7(10(8)18-2)9(13)11(14)15/h4-5,9H,13H2,1-3H3,(H,14,15)
InChIKeyKAYCMCAJVKFSEE-UHFFFAOYSA-N
XLogP0.57
TPSA108.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.25
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-4-(2,3-dimethoxy-5-methoxycarbonylphenyl)butanoic acid
CID 117478821
2-amino-2-(5-ethyl-2,3-dimethoxyphenyl)acetic acid
CID 117350532
2-amino-2-(5-tert-butyl-2,3-dimethoxyphenyl)acetic acid
CID 117421670
2-[3-(difluoromethyl)-4,5-dimethoxyphenyl]-2-oxoacetic acid
CID 117404185
(2S)-2-amino-2-[3,5-bis(methoxycarbonyl)phenyl]acetic acid
CID 66513431
2-amino-2-(3,4,5-trimethoxyphenyl)acetic acid
CID 5100265
3-(1-carboxyethyl)-4,5-dimethoxybenzoic acid
CID 117388426
methyl 3-(2-hydroxypropan-2-yl)-4,5-dimethoxybenzoate
CID 117388803
4-[amino(carboxy)methyl]-3-methoxybenzoic acid
CID 54421140
2-amino-2-(3-chloro-4,5-dimethoxy-2-methylphenyl)acetic acid
CID 117403292
2-amino-2-(3-chloro-2-hydroxy-4,5-dimethoxyphenyl)acetic acid
CID 117408925
2-amino-2-(3-bromo-4,5-dimethoxy-2-methylphenyl)acetic acid
CID 117488962

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(2,3-dimethoxy-5-methoxycarbonylphenyl)acetic acid?
The IUPAC name of 2-amino-2-(2,3-dimethoxy-5-methoxycarbonylphenyl)acetic acid (CID 117426052) is 2-amino-2-(2,3-dimethoxy-5-methoxycarbonylphenyl)acetic acid.
What is the SMILES notation for 2-amino-2-(2,3-dimethoxy-5-methoxycarbonylphenyl)acetic acid?
The canonical SMILES for 2-amino-2-(2,3-dimethoxy-5-methoxycarbonylphenyl)acetic acid is COC(=O)c1cc(OC)c(OC)c(C(N)C(=O)O)c1.
What is the InChIKey of 2-amino-2-(2,3-dimethoxy-5-methoxycarbonylphenyl)acetic acid?
The InChIKey is KAYCMCAJVKFSEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO6/c1-17-8-5-6(12(16)19-3)4-7(10(8)18-2)9(13)11(14)15/h4-5,9H,13H2,1-3H3,(H,14,15).
What are the key properties of 2-amino-2-(2,3-dimethoxy-5-methoxycarbonylphenyl)acetic acid?
2-amino-2-(2,3-dimethoxy-5-methoxycarbonylphenyl)acetic acid has a molecular weight of 269.25 g/mol, XLogP of 0.57, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(2,3-dimethoxy-5-methoxycarbonylphenyl)acetic acid is sourced from PubChem (CID 117426052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).