2-cyclopropylethyl 3-amino-5-ethoxybenzoate

C14H19NO3 — CID 81092437

IUPAC2-cyclopropylethyl 3-amino-5-ethoxybenzoate
SMILESCCOc1cc(N)cc(C(=O)OCCC2CC2)c1
InChIInChI=1S/C14H19NO3/c1-2-17-13-8-11(7-12(15)9-13)14(16)18-6-5-10-3-4-10/h7-10H,2-6,15H2,1H3
InChIKeyONTSFPITNSXXLX-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.62
Rot. Bonds6

About 2-cyclopropylethyl 3-amino-5-ethoxybenzoate

2-cyclopropylethyl 3-amino-5-ethoxybenzoate (PubChem CID 81092437) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-cyclopropylethyl 3-amino-5-ethoxybenzoate.

Molecular Properties

Compound Name2-cyclopropylethyl 3-amino-5-ethoxybenzoate
PubChem CID81092437
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name2-cyclopropylethyl 3-amino-5-ethoxybenzoate
SMILESCCOc1cc(N)cc(C(=O)OCCC2CC2)c1
InChIInChI=1S/C14H19NO3/c1-2-17-13-8-11(7-12(15)9-13)14(16)18-6-5-10-3-4-10/h7-10H,2-6,15H2,1H3
InChIKeyONTSFPITNSXXLX-UHFFFAOYSA-N
XLogP2.62
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropylethyl 3-amino-5-ethoxybenzoate?
The IUPAC name of 2-cyclopropylethyl 3-amino-5-ethoxybenzoate (CID 81092437) is 2-cyclopropylethyl 3-amino-5-ethoxybenzoate.
What is the SMILES notation for 2-cyclopropylethyl 3-amino-5-ethoxybenzoate?
The canonical SMILES for 2-cyclopropylethyl 3-amino-5-ethoxybenzoate is CCOc1cc(N)cc(C(=O)OCCC2CC2)c1.
What is the InChIKey of 2-cyclopropylethyl 3-amino-5-ethoxybenzoate?
The InChIKey is ONTSFPITNSXXLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-2-17-13-8-11(7-12(15)9-13)14(16)18-6-5-10-3-4-10/h7-10H,2-6,15H2,1H3.
What are the key properties of 2-cyclopropylethyl 3-amino-5-ethoxybenzoate?
2-cyclopropylethyl 3-amino-5-ethoxybenzoate has a molecular weight of 249.31 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropylethyl 3-amino-5-ethoxybenzoate is sourced from PubChem (CID 81092437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).