cyclopentyl 4-amino-3-ethoxybenzoate

C14H19NO3 — CID 82057553

IUPACcyclopentyl 4-amino-3-ethoxybenzoate
SMILESCCOc1cc(C(=O)OC2CCCC2)ccc1N
InChIInChI=1S/C14H19NO3/c1-2-17-13-9-10(7-8-12(13)15)14(16)18-11-5-3-4-6-11/h7-9,11H,2-6,15H2,1H3
InChIKeyPYUBISBOFSKQBJ-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.77
Rot. Bonds4

About cyclopentyl 4-amino-3-ethoxybenzoate

cyclopentyl 4-amino-3-ethoxybenzoate (PubChem CID 82057553) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is cyclopentyl 4-amino-3-ethoxybenzoate.

Molecular Properties

Compound Namecyclopentyl 4-amino-3-ethoxybenzoate
PubChem CID82057553
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Namecyclopentyl 4-amino-3-ethoxybenzoate
SMILESCCOc1cc(C(=O)OC2CCCC2)ccc1N
InChIInChI=1S/C14H19NO3/c1-2-17-13-9-10(7-8-12(13)15)14(16)18-11-5-3-4-6-11/h7-9,11H,2-6,15H2,1H3
InChIKeyPYUBISBOFSKQBJ-UHFFFAOYSA-N
XLogP2.77
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

cyclohexyl 4-amino-3-(2-methylpropoxy)benzoate
CID 82057544
cyclopentyl 4-amino-3-[3-(dimethylamino)propoxy]benzoate
CID 93204053
cyclohexyl 4-amino-3-[2-(dimethylamino)ethoxy]benzoate
CID 93204052
ethyl 4-amino-3-cyclohexyloxybenzoate
CID 82796678
cyclopentyl 3-amino-4-methylbenzoate
CID 61278814
cyclopentyl 3-amino-4-fluorobenzoate
CID 61279217
cycloheptyl 4-amino-3-nitrosobenzoate
CID 142061654
(4-ethylcyclohexyl) 4-amino-3-fluorobenzoate
CID 64776901
(1-methylpiperidin-4-yl) 4-amino-3-methoxybenzoate
CID 104783906
4-cyclobutyloxy-2-ethoxyaniline
CID 63677607
(4-methylcyclohexyl) 4-amino-3-methylbenzoate
CID 61277831
(4-ethylcyclohexyl) 3-amino-4-methylbenzoate
CID 64773835

Frequently Asked Questions

What is the IUPAC name of cyclopentyl 4-amino-3-ethoxybenzoate?
The IUPAC name of cyclopentyl 4-amino-3-ethoxybenzoate (CID 82057553) is cyclopentyl 4-amino-3-ethoxybenzoate.
What is the SMILES notation for cyclopentyl 4-amino-3-ethoxybenzoate?
The canonical SMILES for cyclopentyl 4-amino-3-ethoxybenzoate is CCOc1cc(C(=O)OC2CCCC2)ccc1N.
What is the InChIKey of cyclopentyl 4-amino-3-ethoxybenzoate?
The InChIKey is PYUBISBOFSKQBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-2-17-13-9-10(7-8-12(13)15)14(16)18-11-5-3-4-6-11/h7-9,11H,2-6,15H2,1H3.
What are the key properties of cyclopentyl 4-amino-3-ethoxybenzoate?
cyclopentyl 4-amino-3-ethoxybenzoate has a molecular weight of 249.31 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl 4-amino-3-ethoxybenzoate is sourced from PubChem (CID 82057553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).