2-cyclobutylethyl 4-amino-3-methylbenzoate

C14H19NO2 — CID 106203085

IUPAC2-cyclobutylethyl 4-amino-3-methylbenzoate
SMILESCc1cc(C(=O)OCCC2CCC2)ccc1N
InChIInChI=1S/C14H19NO2/c1-10-9-12(5-6-13(10)15)14(16)17-8-7-11-3-2-4-11/h5-6,9,11H,2-4,7-8,15H2,1H3
InChIKeyHGSBGDAXHZNNBL-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.92
Rot. Bonds4

About 2-cyclobutylethyl 4-amino-3-methylbenzoate

2-cyclobutylethyl 4-amino-3-methylbenzoate (PubChem CID 106203085) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-cyclobutylethyl 4-amino-3-methylbenzoate.

Molecular Properties

Compound Name2-cyclobutylethyl 4-amino-3-methylbenzoate
PubChem CID106203085
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name2-cyclobutylethyl 4-amino-3-methylbenzoate
SMILESCc1cc(C(=O)OCCC2CCC2)ccc1N
InChIInChI=1S/C14H19NO2/c1-10-9-12(5-6-13(10)15)14(16)17-8-7-11-3-2-4-11/h5-6,9,11H,2-4,7-8,15H2,1H3
InChIKeyHGSBGDAXHZNNBL-UHFFFAOYSA-N
XLogP2.92
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(2-cyclohexylethoxycarbonyl)-2-methylbenzenesulfonic acid
CID 89364831
2-cyclobutylethyl 3-amino-4-chlorobenzoate
CID 106202993
3,3-dimethylbutyl 4-amino-3-methylbenzoate
CID 54957735
methyl 4-amino-3-(2-cyclopentylethoxy)benzoate
CID 114191521
2-butoxyethyl 4-amino-3-methylbenzoate
CID 61301692
2-cyclohexylethyl 4-aminobenzoate
CID 114192361
2-cyclobutylethyl 4-sulfanylbenzoate
CID 106208001
nonyl 4-amino-3-methylbenzoate
CID 63450150
2-(2-hydroxyethoxy)ethyl 4-amino-3-methylbenzoate
CID 61321259
2-cyclobutylethyl 1,2,3,4-tetrahydroisoquinoline-7-carboxylate
CID 106202952
2-cyclobutylethyl 4-bromo-3-chlorosulfonyl-5-methylbenzoate
CID 106206987
2-cyclobutylethyl 1,2,3,4-tetrahydroquinoline-6-carboxylate
CID 106203130

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutylethyl 4-amino-3-methylbenzoate?
The IUPAC name of 2-cyclobutylethyl 4-amino-3-methylbenzoate (CID 106203085) is 2-cyclobutylethyl 4-amino-3-methylbenzoate.
What is the SMILES notation for 2-cyclobutylethyl 4-amino-3-methylbenzoate?
The canonical SMILES for 2-cyclobutylethyl 4-amino-3-methylbenzoate is Cc1cc(C(=O)OCCC2CCC2)ccc1N.
What is the InChIKey of 2-cyclobutylethyl 4-amino-3-methylbenzoate?
The InChIKey is HGSBGDAXHZNNBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-10-9-12(5-6-13(10)15)14(16)17-8-7-11-3-2-4-11/h5-6,9,11H,2-4,7-8,15H2,1H3.
What are the key properties of 2-cyclobutylethyl 4-amino-3-methylbenzoate?
2-cyclobutylethyl 4-amino-3-methylbenzoate has a molecular weight of 233.31 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutylethyl 4-amino-3-methylbenzoate is sourced from PubChem (CID 106203085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).