ethyl 2-amino-5-[1-(oxolan-2-yl)ethylamino]benzoate

C15H22N2O3 — CID 61305535

IUPACethyl 2-amino-5-[1-(oxolan-2-yl)ethylamino]benzoate
SMILESCCOC(=O)c1cc(NC(C)C2CCCO2)ccc1N
InChIInChI=1S/C15H22N2O3/c1-3-19-15(18)12-9-11(6-7-13(12)16)17-10(2)14-5-4-8-20-14/h6-7,9-10,14,17H,3-5,8,16H2,1-2H3
InChIKeyDHKLJFROOTURFO-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.42
Rot. Bonds5

About ethyl 2-amino-5-[1-(oxolan-2-yl)ethylamino]benzoate

ethyl 2-amino-5-[1-(oxolan-2-yl)ethylamino]benzoate (PubChem CID 61305535) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is ethyl 2-amino-5-[1-(oxolan-2-yl)ethylamino]benzoate.

Molecular Properties

Compound Nameethyl 2-amino-5-[1-(oxolan-2-yl)ethylamino]benzoate
PubChem CID61305535
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Nameethyl 2-amino-5-[1-(oxolan-2-yl)ethylamino]benzoate
SMILESCCOC(=O)c1cc(NC(C)C2CCCO2)ccc1N
InChIInChI=1S/C15H22N2O3/c1-3-19-15(18)12-9-11(6-7-13(12)16)17-10(2)14-5-4-8-20-14/h6-7,9-10,14,17H,3-5,8,16H2,1-2H3
InChIKeyDHKLJFROOTURFO-UHFFFAOYSA-N
XLogP2.42
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-amino-5-(oxolan-2-ylmethylamino)benzoate
CID 61305308
4-N-[1-(oxolan-2-yl)ethyl]benzene-1,2,4-triamine
CID 106750412
ethyl 4-methyl-2-[1-(oxolan-2-yl)ethylamino]pyrimidine-5-carboxylate
CID 83178981
ethyl 2-amino-5-(heptan-2-ylamino)benzoate
CID 63423299
ethyl 2-amino-5-(2-methylpropylamino)benzoate
CID 61312656
ethyl 2-(4-bromoanilino)-2-(oxolan-2-yl)acetate
CID 82838120
4-amino-N-ethyl-3-[1-(oxolan-2-yl)ethylamino]benzamide
CID 63361049
methyl 5-amino-2-[1-(oxolan-2-yl)ethylamino]benzoate
CID 61305536
methyl 3-amino-2-[1-(oxolan-2-yl)ethylamino]benzoate
CID 112578121
ethyl 2-amino-5-[(2-ethylcyclohexyl)amino]benzoate
CID 63423479
ethyl 2-amino-5-(1-thiophen-2-ylpropan-2-ylamino)benzoate
CID 63295836
ethyl 2-amino-5-[(2-oxopiperidin-3-yl)amino]benzoate
CID 62092277

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-5-[1-(oxolan-2-yl)ethylamino]benzoate?
The IUPAC name of ethyl 2-amino-5-[1-(oxolan-2-yl)ethylamino]benzoate (CID 61305535) is ethyl 2-amino-5-[1-(oxolan-2-yl)ethylamino]benzoate.
What is the SMILES notation for ethyl 2-amino-5-[1-(oxolan-2-yl)ethylamino]benzoate?
The canonical SMILES for ethyl 2-amino-5-[1-(oxolan-2-yl)ethylamino]benzoate is CCOC(=O)c1cc(NC(C)C2CCCO2)ccc1N.
What is the InChIKey of ethyl 2-amino-5-[1-(oxolan-2-yl)ethylamino]benzoate?
The InChIKey is DHKLJFROOTURFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-3-19-15(18)12-9-11(6-7-13(12)16)17-10(2)14-5-4-8-20-14/h6-7,9-10,14,17H,3-5,8,16H2,1-2H3.
What are the key properties of ethyl 2-amino-5-[1-(oxolan-2-yl)ethylamino]benzoate?
ethyl 2-amino-5-[1-(oxolan-2-yl)ethylamino]benzoate has a molecular weight of 278.35 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-5-[1-(oxolan-2-yl)ethylamino]benzoate is sourced from PubChem (CID 61305535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).