ethyl 3-amino-4-(2-cyclopropylethoxy)benzoate

C14H19NO3 — CID 114157704

IUPACethyl 3-amino-4-(2-cyclopropylethoxy)benzoate
SMILESCCOC(=O)c1ccc(OCCC2CC2)c(N)c1
InChIInChI=1S/C14H19NO3/c1-2-17-14(16)11-5-6-13(12(15)9-11)18-8-7-10-3-4-10/h5-6,9-10H,2-4,7-8,15H2,1H3
InChIKeySCQWHBMNCGOAOD-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.62
Rot. Bonds6

About ethyl 3-amino-4-(2-cyclopropylethoxy)benzoate

ethyl 3-amino-4-(2-cyclopropylethoxy)benzoate (PubChem CID 114157704) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is ethyl 3-amino-4-(2-cyclopropylethoxy)benzoate.

Molecular Properties

Compound Nameethyl 3-amino-4-(2-cyclopropylethoxy)benzoate
PubChem CID114157704
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Nameethyl 3-amino-4-(2-cyclopropylethoxy)benzoate
SMILESCCOC(=O)c1ccc(OCCC2CC2)c(N)c1
InChIInChI=1S/C14H19NO3/c1-2-17-14(16)11-5-6-13(12(15)9-11)18-8-7-10-3-4-10/h5-6,9-10H,2-4,7-8,15H2,1H3
InChIKeySCQWHBMNCGOAOD-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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Related Compounds

ethyl 3-amino-4-(2-ethoxyethoxy)benzoate
CID 61306324
ethyl 5-amino-2-(2-cyclobutylethoxy)benzoate
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2-(oxolan-2-yl)ethyl 3-amino-4-ethoxybenzoate
CID 65166568
ethyl 3-amino-4-prop-2-enoxybenzoate
CID 82057340
ethyl 3-amino-4-(oxan-2-ylmethoxy)benzoate
CID 61307033
(3-amino-4-propoxyphenyl)-(4-butylcyclohexyl)methanone
CID 94759005
ethyl 3-amino-4-(2,2-difluoroethoxy)benzoate
CID 82006549
methyl 4-amino-3-(2-cyclopentylethoxy)benzoate
CID 114191521
2-cyclopropylethyl 4-ethoxy-3-sulfamoylbenzoate
CID 106207062
ethyl 3-amino-4-[(4-methylphenyl)methoxy]benzoate
CID 82057337
ethyl 3-amino-4-(4,4-dimethylcyclohexyl)oxybenzoate
CID 114341717
ethyl 3-amino-4-(furan-2-ylmethoxy)benzoate
CID 61312680

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-4-(2-cyclopropylethoxy)benzoate?
The IUPAC name of ethyl 3-amino-4-(2-cyclopropylethoxy)benzoate (CID 114157704) is ethyl 3-amino-4-(2-cyclopropylethoxy)benzoate.
What is the SMILES notation for ethyl 3-amino-4-(2-cyclopropylethoxy)benzoate?
The canonical SMILES for ethyl 3-amino-4-(2-cyclopropylethoxy)benzoate is CCOC(=O)c1ccc(OCCC2CC2)c(N)c1.
What is the InChIKey of ethyl 3-amino-4-(2-cyclopropylethoxy)benzoate?
The InChIKey is SCQWHBMNCGOAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-2-17-14(16)11-5-6-13(12(15)9-11)18-8-7-10-3-4-10/h5-6,9-10H,2-4,7-8,15H2,1H3.
What are the key properties of ethyl 3-amino-4-(2-cyclopropylethoxy)benzoate?
ethyl 3-amino-4-(2-cyclopropylethoxy)benzoate 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 ethyl 3-amino-4-(2-cyclopropylethoxy)benzoate is sourced from PubChem (CID 114157704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).