ethyl 3-[(5-methyloxolan-2-yl)methylamino]benzoate

C15H21NO3 — CID 82834519

IUPACethyl 3-[(5-methyloxolan-2-yl)methylamino]benzoate
SMILESCCOC(=O)c1cccc(NCC2CCC(C)O2)c1
InChIInChI=1S/C15H21NO3/c1-3-18-15(17)12-5-4-6-13(9-12)16-10-14-8-7-11(2)19-14/h4-6,9,11,14,16H,3,7-8,10H2,1-2H3
InChIKeyFNNZGBYLXPENRO-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.84
Rot. Bonds5

About ethyl 3-[(5-methyloxolan-2-yl)methylamino]benzoate

ethyl 3-[(5-methyloxolan-2-yl)methylamino]benzoate (PubChem CID 82834519) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is ethyl 3-[(5-methyloxolan-2-yl)methylamino]benzoate.

Molecular Properties

Compound Nameethyl 3-[(5-methyloxolan-2-yl)methylamino]benzoate
PubChem CID82834519
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Nameethyl 3-[(5-methyloxolan-2-yl)methylamino]benzoate
SMILESCCOC(=O)c1cccc(NCC2CCC(C)O2)c1
InChIInChI=1S/C15H21NO3/c1-3-18-15(17)12-5-4-6-13(9-12)16-10-14-8-7-11(2)19-14/h4-6,9,11,14,16H,3,7-8,10H2,1-2H3
InChIKeyFNNZGBYLXPENRO-UHFFFAOYSA-N
XLogP2.84
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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ethyl 3-acetamidobenzoate
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ethyl 3-[[2-(cyclopropylamino)acetyl]amino]benzoate
CID 61260799
ethyl 3-[[(2R)-oxolane-2-carbonyl]amino]benzoate
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ethyl 3-(3-cyclopentylpropanoylamino)benzoate
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ethyl 3-[[2-(2-methylhydrazinyl)-2-oxoethyl]amino]benzoate
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ethyl 3-[(2,6-difluorophenyl)methylamino]benzoate
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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(5-methyloxolan-2-yl)methylamino]benzoate?
The IUPAC name of ethyl 3-[(5-methyloxolan-2-yl)methylamino]benzoate (CID 82834519) is ethyl 3-[(5-methyloxolan-2-yl)methylamino]benzoate.
What is the SMILES notation for ethyl 3-[(5-methyloxolan-2-yl)methylamino]benzoate?
The canonical SMILES for ethyl 3-[(5-methyloxolan-2-yl)methylamino]benzoate is CCOC(=O)c1cccc(NCC2CCC(C)O2)c1.
What is the InChIKey of ethyl 3-[(5-methyloxolan-2-yl)methylamino]benzoate?
The InChIKey is FNNZGBYLXPENRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-3-18-15(17)12-5-4-6-13(9-12)16-10-14-8-7-11(2)19-14/h4-6,9,11,14,16H,3,7-8,10H2,1-2H3.
What are the key properties of ethyl 3-[(5-methyloxolan-2-yl)methylamino]benzoate?
ethyl 3-[(5-methyloxolan-2-yl)methylamino]benzoate has a molecular weight of 263.34 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(5-methyloxolan-2-yl)methylamino]benzoate is sourced from PubChem (CID 82834519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).