[2-(cyclopentylamino)-2-oxoethyl] 3,4-dimethoxybenzoate

C16H21NO5 — CID 2337903

IUPAC[2-(cyclopentylamino)-2-oxoethyl] 3,4-dimethoxybenzoate
SMILESCOc1ccc(C(=O)OCC(=O)NC2CCCC2)cc1OC
InChIInChI=1S/C16H21NO5/c1-20-13-8-7-11(9-14(13)21-2)16(19)22-10-15(18)17-12-5-3-4-6-12/h7-9,12H,3-6,10H2,1-2H3,(H,17,18)
InChIKeyHUKWXOIBTQONOA-UHFFFAOYSA-N
MW307.35 g/mol
LogP1.92
Rot. Bonds6

About [2-(cyclopentylamino)-2-oxoethyl] 3,4-dimethoxybenzoate

[2-(cyclopentylamino)-2-oxoethyl] 3,4-dimethoxybenzoate (PubChem CID 2337903) has the molecular formula C16H21NO5 and a molecular weight of 307.35 g/mol. Its IUPAC name is [2-(cyclopentylamino)-2-oxoethyl] 3,4-dimethoxybenzoate.

Molecular Properties

Compound Name[2-(cyclopentylamino)-2-oxoethyl] 3,4-dimethoxybenzoate
PubChem CID2337903
Molecular FormulaC16H21NO5
Molecular Weight307.35 g/mol
Exact Mass307.14
IUPAC Name[2-(cyclopentylamino)-2-oxoethyl] 3,4-dimethoxybenzoate
SMILESCOc1ccc(C(=O)OCC(=O)NC2CCCC2)cc1OC
InChIInChI=1S/C16H21NO5/c1-20-13-8-7-11(9-14(13)21-2)16(19)22-10-15(18)17-12-5-3-4-6-12/h7-9,12H,3-6,10H2,1-2H3,(H,17,18)
InChIKeyHUKWXOIBTQONOA-UHFFFAOYSA-N
XLogP1.92
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(cyclopentylamino)-2-oxoethyl] 3,4-dimethoxybenzoate?
The IUPAC name of [2-(cyclopentylamino)-2-oxoethyl] 3,4-dimethoxybenzoate (CID 2337903) is [2-(cyclopentylamino)-2-oxoethyl] 3,4-dimethoxybenzoate.
What is the SMILES notation for [2-(cyclopentylamino)-2-oxoethyl] 3,4-dimethoxybenzoate?
The canonical SMILES for [2-(cyclopentylamino)-2-oxoethyl] 3,4-dimethoxybenzoate is COc1ccc(C(=O)OCC(=O)NC2CCCC2)cc1OC.
What is the InChIKey of [2-(cyclopentylamino)-2-oxoethyl] 3,4-dimethoxybenzoate?
The InChIKey is HUKWXOIBTQONOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO5/c1-20-13-8-7-11(9-14(13)21-2)16(19)22-10-15(18)17-12-5-3-4-6-12/h7-9,12H,3-6,10H2,1-2H3,(H,17,18).
What are the key properties of [2-(cyclopentylamino)-2-oxoethyl] 3,4-dimethoxybenzoate?
[2-(cyclopentylamino)-2-oxoethyl] 3,4-dimethoxybenzoate has a molecular weight of 307.35 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopentylamino)-2-oxoethyl] 3,4-dimethoxybenzoate is sourced from PubChem (CID 2337903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).