2-amino-2-(5-tert-butyl-2,3-dimethoxyphenyl)acetic acid

C14H21NO4 — CID 117421670

IUPAC2-amino-2-(5-tert-butyl-2,3-dimethoxyphenyl)acetic acid
SMILESCOc1cc(C(C)(C)C)cc(C(N)C(=O)O)c1OC
InChIInChI=1S/C14H21NO4/c1-14(2,3)8-6-9(11(15)13(16)17)12(19-5)10(7-8)18-4/h6-7,11H,15H2,1-5H3,(H,16,17)
InChIKeySBPJQXCGGXZOFI-UHFFFAOYSA-N
MW267.32 g/mol
LogP2.09
Rot. Bonds4

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

2-amino-2-(5-tert-butyl-2,3-dimethoxyphenyl)acetic acid (PubChem CID 117421670) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is 2-amino-2-(5-tert-butyl-2,3-dimethoxyphenyl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(5-tert-butyl-2,3-dimethoxyphenyl)acetic acid
PubChem CID117421670
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Name2-amino-2-(5-tert-butyl-2,3-dimethoxyphenyl)acetic acid
SMILESCOc1cc(C(C)(C)C)cc(C(N)C(=O)O)c1OC
InChIInChI=1S/C14H21NO4/c1-14(2,3)8-6-9(11(15)13(16)17)12(19-5)10(7-8)18-4/h6-7,11H,15H2,1-5H3,(H,16,17)
InChIKeySBPJQXCGGXZOFI-UHFFFAOYSA-N
XLogP2.09
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-(5-tert-butyl-2-methoxyphenyl)acetic acid
CID 3582246
2-amino-2-(2,3-dimethoxy-5-methoxycarbonylphenyl)acetic acid
CID 117426052
2-amino-2-(5-ethyl-2,3-dimethoxyphenyl)acetic acid
CID 117350532
2-amino-2-(3,4,5-trimethoxyphenyl)acetic acid
CID 5100265
2-(5-tert-butyl-2,3-dimethoxyphenyl)propan-1-ol
CID 117384454
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-amino-2-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)acetic acid
CID 117390658
4-[amino(carboxy)methyl]-3-methoxybenzoic acid
CID 54421140
2-amino-2-(6-chloro-2,3,4-trimethoxyphenyl)acetic acid
CID 117441313
(2S)-2-amino-2-(2-hydroxy-3,4-dimethoxyphenyl)acetic acid
CID 66513090

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(5-tert-butyl-2,3-dimethoxyphenyl)acetic acid?
The IUPAC name of 2-amino-2-(5-tert-butyl-2,3-dimethoxyphenyl)acetic acid (CID 117421670) is 2-amino-2-(5-tert-butyl-2,3-dimethoxyphenyl)acetic acid.
What is the SMILES notation for 2-amino-2-(5-tert-butyl-2,3-dimethoxyphenyl)acetic acid?
The canonical SMILES for 2-amino-2-(5-tert-butyl-2,3-dimethoxyphenyl)acetic acid is COc1cc(C(C)(C)C)cc(C(N)C(=O)O)c1OC.
What is the InChIKey of 2-amino-2-(5-tert-butyl-2,3-dimethoxyphenyl)acetic acid?
The InChIKey is SBPJQXCGGXZOFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-14(2,3)8-6-9(11(15)13(16)17)12(19-5)10(7-8)18-4/h6-7,11H,15H2,1-5H3,(H,16,17).
What are the key properties of 2-amino-2-(5-tert-butyl-2,3-dimethoxyphenyl)acetic acid?
2-amino-2-(5-tert-butyl-2,3-dimethoxyphenyl)acetic acid has a molecular weight of 267.32 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(5-tert-butyl-2,3-dimethoxyphenyl)acetic acid is sourced from PubChem (CID 117421670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).