2-[2-(tert-butylamino)phenyl]acetic acid

C12H17NO2 — CID 22714206

IUPAC2-[2-(tert-butylamino)phenyl]acetic acid
SMILESCC(C)(C)Nc1ccccc1CC(=O)O
InChIInChI=1S/C12H17NO2/c1-12(2,3)13-10-7-5-4-6-9(10)8-11(14)15/h4-7,13H,8H2,1-3H3,(H,14,15)
InChIKeyFOEIFOAPAUZILW-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.52
Rot. Bonds3

About 2-[2-(tert-butylamino)phenyl]acetic acid

2-[2-(tert-butylamino)phenyl]acetic acid (PubChem CID 22714206) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 2-[2-(tert-butylamino)phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-(tert-butylamino)phenyl]acetic acid
PubChem CID22714206
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name2-[2-(tert-butylamino)phenyl]acetic acid
SMILESCC(C)(C)Nc1ccccc1CC(=O)O
InChIInChI=1S/C12H17NO2/c1-12(2,3)13-10-7-5-4-6-9(10)8-11(14)15/h4-7,13H,8H2,1-3H3,(H,14,15)
InChIKeyFOEIFOAPAUZILW-UHFFFAOYSA-N
XLogP2.52
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(tert-butylcarbamoylamino)phenyl]acetic acid
CID 62535532
2-[2-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]phenyl]acetic acid
CID 62535737
2-[2-[(2-tert-butylsulfanylacetyl)amino]phenyl]acetic acid
CID 62536483
2-(2-ethylanilino)-2-methylpentanoic acid
CID 114992150
2-[2-[3-(methylamino)propanoylamino]phenyl]acetic acid
CID 62536315
2-(tert-butylamino)phenol
CID 70671108
2-[2-(2-methoxypropan-2-yl)phenyl]acetic acid
CID 117111517
CID 172781038
CID 172781038
CID 172781001
CID 172781001
2-[2-(2,3-dimethylanilino)phenyl]acetic acid
CID 14762938
2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydrate
CID 68653725
2-[2-[[2-(aminomethyl)-2-ethylbutanoyl]amino]phenyl]acetic acid
CID 115432487

Frequently Asked Questions

What is the IUPAC name of 2-[2-(tert-butylamino)phenyl]acetic acid?
The IUPAC name of 2-[2-(tert-butylamino)phenyl]acetic acid (CID 22714206) is 2-[2-(tert-butylamino)phenyl]acetic acid.
What is the SMILES notation for 2-[2-(tert-butylamino)phenyl]acetic acid?
The canonical SMILES for 2-[2-(tert-butylamino)phenyl]acetic acid is CC(C)(C)Nc1ccccc1CC(=O)O.
What is the InChIKey of 2-[2-(tert-butylamino)phenyl]acetic acid?
The InChIKey is FOEIFOAPAUZILW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-12(2,3)13-10-7-5-4-6-9(10)8-11(14)15/h4-7,13H,8H2,1-3H3,(H,14,15).
What are the key properties of 2-[2-(tert-butylamino)phenyl]acetic acid?
2-[2-(tert-butylamino)phenyl]acetic acid has a molecular weight of 207.27 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(tert-butylamino)phenyl]acetic acid is sourced from PubChem (CID 22714206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).