2-(4-tert-butyl-N,2,6-trimethylanilino)propanoic acid

C16H25NO2 — CID 117041855

IUPAC2-(4-tert-butyl-N,2,6-trimethylanilino)propanoic acid
SMILESCc1cc(C(C)(C)C)cc(C)c1N(C)C(C)C(=O)O
InChIInChI=1S/C16H25NO2/c1-10-8-13(16(4,5)6)9-11(2)14(10)17(7)12(3)15(18)19/h8-9,12H,1-7H3,(H,18,19)
InChIKeyKJGVOIHCALTCML-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.51
Rot. Bonds3

About 2-(4-tert-butyl-N,2,6-trimethylanilino)propanoic acid

2-(4-tert-butyl-N,2,6-trimethylanilino)propanoic acid (PubChem CID 117041855) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-(4-tert-butyl-N,2,6-trimethylanilino)propanoic acid.

Molecular Properties

Compound Name2-(4-tert-butyl-N,2,6-trimethylanilino)propanoic acid
PubChem CID117041855
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-(4-tert-butyl-N,2,6-trimethylanilino)propanoic acid
SMILESCc1cc(C(C)(C)C)cc(C)c1N(C)C(C)C(=O)O
InChIInChI=1S/C16H25NO2/c1-10-8-13(16(4,5)6)9-11(2)14(10)17(7)12(3)15(18)19/h8-9,12H,1-7H3,(H,18,19)
InChIKeyKJGVOIHCALTCML-UHFFFAOYSA-N
XLogP3.51
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-tert-butyl-2,6-dimethylphenyl)-methylcarbamic acid
CID 115170748
2-(N,2,4,5-tetramethylanilino)propanoic acid
CID 117041856
(2R)-2-(N,2,4-trimethylanilino)propanoic acid
CID 124508497
2-(3-chloro-N,4-dimethylanilino)propanoic acid
CID 133150351
2-amino-2-(4-tert-butyl-2,6-dimethylphenyl)-N-methylacetohydrazide
CID 116848948
1-(4-tert-butyl-2,6-dimethylphenyl)-1,3-dimethylurea
CID 115169017
2-(4-carbamoyl-N,3-dimethylanilino)propanoic acid
CID 81273832
(2S)-2-(4-methoxy-N,3-dimethylanilino)propanoic acid
CID 91455693
1-(4-tert-butyl-2,6-dimethylphenyl)-3-methyl-2-phosphanylbutan-1-one
CID 174463873
3-(4-tert-butyl-2-methylphenyl)-2-methyl-3-oxopropanoic acid
CID 116918241
2-(N,4-dimethyl-2-nitroanilino)propanoic acid
CID 62637384
(4-tert-butyl-N,2,6-trimethylanilino)methanol
CID 115228844

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-N,2,6-trimethylanilino)propanoic acid?
The IUPAC name of 2-(4-tert-butyl-N,2,6-trimethylanilino)propanoic acid (CID 117041855) is 2-(4-tert-butyl-N,2,6-trimethylanilino)propanoic acid.
What is the SMILES notation for 2-(4-tert-butyl-N,2,6-trimethylanilino)propanoic acid?
The canonical SMILES for 2-(4-tert-butyl-N,2,6-trimethylanilino)propanoic acid is Cc1cc(C(C)(C)C)cc(C)c1N(C)C(C)C(=O)O.
What is the InChIKey of 2-(4-tert-butyl-N,2,6-trimethylanilino)propanoic acid?
The InChIKey is KJGVOIHCALTCML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-10-8-13(16(4,5)6)9-11(2)14(10)17(7)12(3)15(18)19/h8-9,12H,1-7H3,(H,18,19).
What are the key properties of 2-(4-tert-butyl-N,2,6-trimethylanilino)propanoic acid?
2-(4-tert-butyl-N,2,6-trimethylanilino)propanoic acid has a molecular weight of 263.38 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butyl-N,2,6-trimethylanilino)propanoic acid is sourced from PubChem (CID 117041855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).