2-amino-2-(5-tert-butyl-2-methoxyphenyl)acetic acid

C13H19NO3 — CID 3582246

IUPAC2-amino-2-(5-tert-butyl-2-methoxyphenyl)acetic acid
SMILESCOc1ccc(C(C)(C)C)cc1C(N)C(=O)O
InChIInChI=1S/C13H19NO3/c1-13(2,3)8-5-6-10(17-4)9(7-8)11(14)12(15)16/h5-7,11H,14H2,1-4H3,(H,15,16)
InChIKeyRGXXJZWYFOQLRP-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.08
Rot. Bonds3

About 2-amino-2-(5-tert-butyl-2-methoxyphenyl)acetic acid

2-amino-2-(5-tert-butyl-2-methoxyphenyl)acetic acid (PubChem CID 3582246) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-amino-2-(5-tert-butyl-2-methoxyphenyl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(5-tert-butyl-2-methoxyphenyl)acetic acid
PubChem CID3582246
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name2-amino-2-(5-tert-butyl-2-methoxyphenyl)acetic acid
SMILESCOc1ccc(C(C)(C)C)cc1C(N)C(=O)O
InChIInChI=1S/C13H19NO3/c1-13(2,3)8-5-6-10(17-4)9(7-8)11(14)12(15)16/h5-7,11H,14H2,1-4H3,(H,15,16)
InChIKeyRGXXJZWYFOQLRP-UHFFFAOYSA-N
XLogP2.08
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-amino-2-(5-tert-butyl-2-methoxyphenyl)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-amino-2-(5-tert-butyl-2-methoxyphenyl)-N-methylacetamide
CID 116850378
amino-(5-tert-butyl-2-methoxyphenyl)methanethiol
CID 116939444
2-amino-2-(5-tert-butyl-2,3-dimethoxyphenyl)acetic acid
CID 117421670
(2R)-2-amino-2-(5-bromo-2-methoxyphenyl)acetic acid
CID 7046821
(2R)-2-amino-2-(5-tert-butyl-2-methoxyphenyl)ethanol
CID 66514274
5-amino-5-(5-tert-butyl-2-methoxyphenyl)pentan-2-one
CID 116940675
1-(5-tert-butyl-2-methoxyphenyl)ethanethiol
CID 116866684
(5-tert-butyl-2-methoxyphenyl)-phenylmethanol
CID 171366960
4-[amino(carboxy)methyl]-3-methoxybenzoic acid
CID 54421140
1-(5-tert-butyl-2-methoxyphenyl)-1-hydroxybutan-2-one
CID 116835810
3-amino-3-[5-(1,1-difluoroethyl)-2-methoxyphenyl]propanoic acid
CID 117401252
1-(5-tert-butyl-2-methoxyphenyl)-N'-methylbutane-1,4-diamine
CID 116933842

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(5-tert-butyl-2-methoxyphenyl)acetic acid?
The IUPAC name of 2-amino-2-(5-tert-butyl-2-methoxyphenyl)acetic acid (CID 3582246) is 2-amino-2-(5-tert-butyl-2-methoxyphenyl)acetic acid.
What is the SMILES notation for 2-amino-2-(5-tert-butyl-2-methoxyphenyl)acetic acid?
The canonical SMILES for 2-amino-2-(5-tert-butyl-2-methoxyphenyl)acetic acid is COc1ccc(C(C)(C)C)cc1C(N)C(=O)O.
What is the InChIKey of 2-amino-2-(5-tert-butyl-2-methoxyphenyl)acetic acid?
The InChIKey is RGXXJZWYFOQLRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-13(2,3)8-5-6-10(17-4)9(7-8)11(14)12(15)16/h5-7,11H,14H2,1-4H3,(H,15,16).
What are the key properties of 2-amino-2-(5-tert-butyl-2-methoxyphenyl)acetic acid?
2-amino-2-(5-tert-butyl-2-methoxyphenyl)acetic acid has a molecular weight of 237.30 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(5-tert-butyl-2-methoxyphenyl)acetic acid is sourced from PubChem (CID 3582246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).