4-(1-amino-2-methylpropan-2-yl)oxybenzoic acid

C11H15NO3 — CID 117053492

IUPAC4-(1-amino-2-methylpropan-2-yl)oxybenzoic acid
SMILESCC(C)(CN)Oc1ccc(C(=O)O)cc1
InChIInChI=1S/C11H15NO3/c1-11(2,7-12)15-9-5-3-8(4-6-9)10(13)14/h3-6H,7,12H2,1-2H3,(H,13,14)
InChIKeyBQBFQTMBDBQYOX-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.50
Rot. Bonds4

About 4-(1-amino-2-methylpropan-2-yl)oxybenzoic acid

4-(1-amino-2-methylpropan-2-yl)oxybenzoic acid (PubChem CID 117053492) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 4-(1-amino-2-methylpropan-2-yl)oxybenzoic acid.

Molecular Properties

Compound Name4-(1-amino-2-methylpropan-2-yl)oxybenzoic acid
PubChem CID117053492
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Name4-(1-amino-2-methylpropan-2-yl)oxybenzoic acid
SMILESCC(C)(CN)Oc1ccc(C(=O)O)cc1
InChIInChI=1S/C11H15NO3/c1-11(2,7-12)15-9-5-3-8(4-6-9)10(13)14/h3-6H,7,12H2,1-2H3,(H,13,14)
InChIKeyBQBFQTMBDBQYOX-UHFFFAOYSA-N
XLogP1.50
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-hydroxy-2,4-dimethylpentan-2-yl)oxybenzoic acid
CID 143021723
4-(2-bromopropan-2-yloxy)benzoic acid
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4-(1,1-dimethoxyethoxy)benzoic acid
CID 174603302
2-(4-benzylphenoxy)-2-methylpropan-1-amine
CID 62353621
methyl 3-[4-(1-amino-2-methylpropan-2-yl)oxyphenyl]propanoate
CID 117095103
CID 158020743
CID 158020743
[4-(1-hydroxy-2-methylpropan-2-yl)oxyphenyl]-phenylmethanone
CID 145160096
4-(2-methyl-1-oxo-1-phenylmethoxypropan-2-yl)oxybenzoic acid
CID 67548633
4-[2-[4-(2-phenoxypropan-2-yl)phenoxy]propan-2-yl]benzoic acid
CID 142080279
4-(trifluoromethoxy)benzoic acid;hydrochloride
CID 70271899
4-[4-[4-(4-carboxyphenoxy)phenoxy]phenoxy]benzoic acid
CID 14177974
methyl 4-(2-methylbutan-2-yloxy)benzoate
CID 71046237

Frequently Asked Questions

What is the IUPAC name of 4-(1-amino-2-methylpropan-2-yl)oxybenzoic acid?
The IUPAC name of 4-(1-amino-2-methylpropan-2-yl)oxybenzoic acid (CID 117053492) is 4-(1-amino-2-methylpropan-2-yl)oxybenzoic acid.
What is the SMILES notation for 4-(1-amino-2-methylpropan-2-yl)oxybenzoic acid?
The canonical SMILES for 4-(1-amino-2-methylpropan-2-yl)oxybenzoic acid is CC(C)(CN)Oc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-(1-amino-2-methylpropan-2-yl)oxybenzoic acid?
The InChIKey is BQBFQTMBDBQYOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-11(2,7-12)15-9-5-3-8(4-6-9)10(13)14/h3-6H,7,12H2,1-2H3,(H,13,14).
What are the key properties of 4-(1-amino-2-methylpropan-2-yl)oxybenzoic acid?
4-(1-amino-2-methylpropan-2-yl)oxybenzoic acid has a molecular weight of 209.25 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-amino-2-methylpropan-2-yl)oxybenzoic acid is sourced from PubChem (CID 117053492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).