2-amino-2-(2-tert-butylphenyl)acetic acid

C12H17NO2 — CID 77127946

IUPAC2-amino-2-(2-tert-butylphenyl)acetic acid
SMILESCC(C)(C)c1ccccc1C(N)C(=O)O
InChIInChI=1S/C12H17NO2/c1-12(2,3)9-7-5-4-6-8(9)10(13)11(14)15/h4-7,10H,13H2,1-3H3,(H,14,15)
InChIKeyXTEJPZKVOYBGBE-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.07
Rot. Bonds2

About 2-amino-2-(2-tert-butylphenyl)acetic acid

2-amino-2-(2-tert-butylphenyl)acetic acid (PubChem CID 77127946) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 2-amino-2-(2-tert-butylphenyl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(2-tert-butylphenyl)acetic acid
PubChem CID77127946
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name2-amino-2-(2-tert-butylphenyl)acetic acid
SMILESCC(C)(C)c1ccccc1C(N)C(=O)O
InChIInChI=1S/C12H17NO2/c1-12(2,3)9-7-5-4-6-8(9)10(13)11(14)15/h4-7,10H,13H2,1-3H3,(H,14,15)
InChIKeyXTEJPZKVOYBGBE-UHFFFAOYSA-N
XLogP2.07
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-tert-butylphenyl)-2-fluoroacetic acid
CID 105425453
2-amino-2-[2-(2-hydroxy-2-methylpropyl)phenyl]acetic acid
CID 117115041
(2R)-2-amino-2-(2-methylsulfanylphenyl)acetic acid
CID 130742230
2-amino-2-[3-(1,1-difluoroethyl)-2-methoxyphenyl]acetic acid
CID 84705009
4-amino-3-(2-tert-butylphenyl)butanoic acid
CID 84797586
2-amino-2-(2-pentan-3-ylphenyl)acetic acid
CID 83838407
5-[(2-tert-butylphenyl)-hydroxymethyl]furan-2-carboxylic acid
CID 106947428
(2-tert-butylphenyl)-phenylmethanol
CID 19438357
2-amino-1-(2-tert-butylphenyl)ethanol
CID 18627964
(2R)-2-amino-2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetic acid
CID 99774994
2-(2-acetamidophenyl)-2-aminoacetic acid
CID 21317152
3-amino-3-(2-tert-butylphenyl)propan-1-ol
CID 84779858

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(2-tert-butylphenyl)acetic acid?
The IUPAC name of 2-amino-2-(2-tert-butylphenyl)acetic acid (CID 77127946) is 2-amino-2-(2-tert-butylphenyl)acetic acid.
What is the SMILES notation for 2-amino-2-(2-tert-butylphenyl)acetic acid?
The canonical SMILES for 2-amino-2-(2-tert-butylphenyl)acetic acid is CC(C)(C)c1ccccc1C(N)C(=O)O.
What is the InChIKey of 2-amino-2-(2-tert-butylphenyl)acetic acid?
The InChIKey is XTEJPZKVOYBGBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-12(2,3)9-7-5-4-6-8(9)10(13)11(14)15/h4-7,10H,13H2,1-3H3,(H,14,15).
What are the key properties of 2-amino-2-(2-tert-butylphenyl)acetic acid?
2-amino-2-(2-tert-butylphenyl)acetic acid has a molecular weight of 207.27 g/mol, XLogP of 2.07, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(2-tert-butylphenyl)acetic acid is sourced from PubChem (CID 77127946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).