2-[1-(4-methylphenyl)ethylamino]cyclobutane-1-carboxylic acid

C14H19NO2 — CID 103246093

IUPAC2-[1-(4-methylphenyl)ethylamino]cyclobutane-1-carboxylic acid
SMILESCc1ccc(C(C)NC2CCC2C(=O)O)cc1
InChIInChI=1S/C14H19NO2/c1-9-3-5-11(6-4-9)10(2)15-13-8-7-12(13)14(16)17/h3-6,10,12-13,15H,7-8H2,1-2H3,(H,16,17)
InChIKeyHUXAWCQYBIKXBI-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.51
Rot. Bonds4

About 2-[1-(4-methylphenyl)ethylamino]cyclobutane-1-carboxylic acid

2-[1-(4-methylphenyl)ethylamino]cyclobutane-1-carboxylic acid (PubChem CID 103246093) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-[1-(4-methylphenyl)ethylamino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-[1-(4-methylphenyl)ethylamino]cyclobutane-1-carboxylic acid
PubChem CID103246093
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name2-[1-(4-methylphenyl)ethylamino]cyclobutane-1-carboxylic acid
SMILESCc1ccc(C(C)NC2CCC2C(=O)O)cc1
InChIInChI=1S/C14H19NO2/c1-9-3-5-11(6-4-9)10(2)15-13-8-7-12(13)14(16)17/h3-6,10,12-13,15H,7-8H2,1-2H3,(H,16,17)
InChIKeyHUXAWCQYBIKXBI-UHFFFAOYSA-N
XLogP2.51
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(4-fluorophenyl)ethylamino]cyclobutane-1-carboxylic acid
CID 103244298
trans-(1S,2S)-2-[[(1S)-1-phenylethyl]amino]cyclopentane-1-carboxylic acid
CID 11020794
trans-(1R,2R)-2-[[(1R)-1-phenylethyl]amino]cyclopentane-1-carboxylic acid
CID 10933381
2-[1-(4-methylphenyl)ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120974742
2,4-dimethyl-N-[(1R)-1-(4-methylphenyl)ethyl]cyclohexan-1-amine
CID 81349071
2-[1-(3-acetamidophenyl)ethylamino]cyclobutane-1-carboxylic acid
CID 103240431
2-[1-(2-chlorophenyl)ethylamino]cyclobutane-1-carboxylic acid
CID 103245807
2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]cyclobutane-1-carboxylic acid
CID 103260204
4-[[(1S)-1-phenylethyl]amino]oxolane-3-carboxylic acid
CID 175965674
N-[1-(4-methylphenyl)ethyl]cyclopropanamine
CID 16771025
(1S,6S)-6-[[(1R)-1-(4-methylphenyl)ethyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 27475382
4-[[(1S)-1-(4-methylphenyl)ethyl]amino]oxolan-3-ol
CID 81355689

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methylphenyl)ethylamino]cyclobutane-1-carboxylic acid?
The IUPAC name of 2-[1-(4-methylphenyl)ethylamino]cyclobutane-1-carboxylic acid (CID 103246093) is 2-[1-(4-methylphenyl)ethylamino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-[1-(4-methylphenyl)ethylamino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-[1-(4-methylphenyl)ethylamino]cyclobutane-1-carboxylic acid is Cc1ccc(C(C)NC2CCC2C(=O)O)cc1.
What is the InChIKey of 2-[1-(4-methylphenyl)ethylamino]cyclobutane-1-carboxylic acid?
The InChIKey is HUXAWCQYBIKXBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-9-3-5-11(6-4-9)10(2)15-13-8-7-12(13)14(16)17/h3-6,10,12-13,15H,7-8H2,1-2H3,(H,16,17).
What are the key properties of 2-[1-(4-methylphenyl)ethylamino]cyclobutane-1-carboxylic acid?
2-[1-(4-methylphenyl)ethylamino]cyclobutane-1-carboxylic acid has a molecular weight of 233.31 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methylphenyl)ethylamino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 103246093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).