4-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]benzoic acid

C17H25NO3 — CID 64852146

IUPAC4-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]benzoic acid
SMILESCC(C)COC1CC(Nc2ccc(C(=O)O)cc2)C1(C)C
InChIInChI=1S/C17H25NO3/c1-11(2)10-21-15-9-14(17(15,3)4)18-13-7-5-12(6-8-13)16(19)20/h5-8,11,14-15,18H,9-10H2,1-4H3,(H,19,20)
InChIKeyRRUBZJDDKCNJDB-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.64
Rot. Bonds6

About 4-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]benzoic acid

4-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]benzoic acid (PubChem CID 64852146) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 4-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]benzoic acid.

Molecular Properties

Compound Name4-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]benzoic acid
PubChem CID64852146
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name4-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]benzoic acid
SMILESCC(C)COC1CC(Nc2ccc(C(=O)O)cc2)C1(C)C
InChIInChI=1S/C17H25NO3/c1-11(2)10-21-15-9-14(17(15,3)4)18-13-7-5-12(6-8-13)16(19)20/h5-8,11,14-15,18H,9-10H2,1-4H3,(H,19,20)
InChIKeyRRUBZJDDKCNJDB-UHFFFAOYSA-N
XLogP3.64
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-4-fluoro-3-methylaniline
CID 64851194
[3-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]phenyl]methanol
CID 64850786
4-chloro-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-3-methoxyaniline
CID 107621176
4-chloro-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-3-fluoroaniline
CID 64851379
4-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]benzoic acid
CID 65295433
N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-2,5-difluoroaniline
CID 64852729
2,2-dimethyl-3-(2-methylpropoxy)-N-(1-phenylpropan-2-yl)cyclobutan-1-amine
CID 64851968
2,4,6-tribromo-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]aniline
CID 64851754
2-[4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]phenyl]ethanol
CID 64850757
3-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]propanamide
CID 64851177
2-[[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]methyl]phenol
CID 115642851
4-bromo-2,6-dichloro-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]aniline
CID 64851756

Frequently Asked Questions

What is the IUPAC name of 4-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]benzoic acid?
The IUPAC name of 4-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]benzoic acid (CID 64852146) is 4-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]benzoic acid.
What is the SMILES notation for 4-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]benzoic acid?
The canonical SMILES for 4-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]benzoic acid is CC(C)COC1CC(Nc2ccc(C(=O)O)cc2)C1(C)C.
What is the InChIKey of 4-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]benzoic acid?
The InChIKey is RRUBZJDDKCNJDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-11(2)10-21-15-9-14(17(15,3)4)18-13-7-5-12(6-8-13)16(19)20/h5-8,11,14-15,18H,9-10H2,1-4H3,(H,19,20).
What are the key properties of 4-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]benzoic acid?
4-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]benzoic acid has a molecular weight of 291.39 g/mol, XLogP of 3.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]benzoic acid is sourced from PubChem (CID 64852146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).