2-(tert-butylamino)-2-(4-hydroxy-3,5-dimethylphenyl)acetic acid

C14H21NO3 — CID 3593854

IUPAC2-(tert-butylamino)-2-(4-hydroxy-3,5-dimethylphenyl)acetic acid
SMILESCc1cc(C(NC(C)(C)C)C(=O)O)cc(C)c1O
InChIInChI=1S/C14H21NO3/c1-8-6-10(7-9(2)12(8)16)11(13(17)18)15-14(3,4)5/h6-7,11,15-16H,1-5H3,(H,17,18)
InChIKeyOPOWBFBBYNYDDH-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.52
Rot. Bonds3

About 2-(tert-butylamino)-2-(4-hydroxy-3,5-dimethylphenyl)acetic acid

2-(tert-butylamino)-2-(4-hydroxy-3,5-dimethylphenyl)acetic acid (PubChem CID 3593854) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-(tert-butylamino)-2-(4-hydroxy-3,5-dimethylphenyl)acetic acid.

Molecular Properties

Compound Name2-(tert-butylamino)-2-(4-hydroxy-3,5-dimethylphenyl)acetic acid
PubChem CID3593854
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name2-(tert-butylamino)-2-(4-hydroxy-3,5-dimethylphenyl)acetic acid
SMILESCc1cc(C(NC(C)(C)C)C(=O)O)cc(C)c1O
InChIInChI=1S/C14H21NO3/c1-8-6-10(7-9(2)12(8)16)11(13(17)18)15-14(3,4)5/h6-7,11,15-16H,1-5H3,(H,17,18)
InChIKeyOPOWBFBBYNYDDH-UHFFFAOYSA-N
XLogP2.52
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-2-(4-hydroxy-3,5-dimethylphenyl)acetic acid?
The IUPAC name of 2-(tert-butylamino)-2-(4-hydroxy-3,5-dimethylphenyl)acetic acid (CID 3593854) is 2-(tert-butylamino)-2-(4-hydroxy-3,5-dimethylphenyl)acetic acid.
What is the SMILES notation for 2-(tert-butylamino)-2-(4-hydroxy-3,5-dimethylphenyl)acetic acid?
The canonical SMILES for 2-(tert-butylamino)-2-(4-hydroxy-3,5-dimethylphenyl)acetic acid is Cc1cc(C(NC(C)(C)C)C(=O)O)cc(C)c1O.
What is the InChIKey of 2-(tert-butylamino)-2-(4-hydroxy-3,5-dimethylphenyl)acetic acid?
The InChIKey is OPOWBFBBYNYDDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-8-6-10(7-9(2)12(8)16)11(13(17)18)15-14(3,4)5/h6-7,11,15-16H,1-5H3,(H,17,18).
What are the key properties of 2-(tert-butylamino)-2-(4-hydroxy-3,5-dimethylphenyl)acetic acid?
2-(tert-butylamino)-2-(4-hydroxy-3,5-dimethylphenyl)acetic acid has a molecular weight of 251.33 g/mol, XLogP of 2.52, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-2-(4-hydroxy-3,5-dimethylphenyl)acetic acid is sourced from PubChem (CID 3593854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).