[2-(cyclopentylamino)-2-oxoethyl] 2-methoxybenzoate

C15H19NO4 — CID 4162556

IUPAC[2-(cyclopentylamino)-2-oxoethyl] 2-methoxybenzoate
SMILESCOc1ccccc1C(=O)OCC(=O)NC1CCCC1
InChIInChI=1S/C15H19NO4/c1-19-13-9-5-4-8-12(13)15(18)20-10-14(17)16-11-6-2-3-7-11/h4-5,8-9,11H,2-3,6-7,10H2,1H3,(H,16,17)
InChIKeyGLUKHDOQFUZNHX-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.91
Rot. Bonds5

About [2-(cyclopentylamino)-2-oxoethyl] 2-methoxybenzoate

[2-(cyclopentylamino)-2-oxoethyl] 2-methoxybenzoate (PubChem CID 4162556) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is [2-(cyclopentylamino)-2-oxoethyl] 2-methoxybenzoate.

Molecular Properties

Compound Name[2-(cyclopentylamino)-2-oxoethyl] 2-methoxybenzoate
PubChem CID4162556
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name[2-(cyclopentylamino)-2-oxoethyl] 2-methoxybenzoate
SMILESCOc1ccccc1C(=O)OCC(=O)NC1CCCC1
InChIInChI=1S/C15H19NO4/c1-19-13-9-5-4-8-12(13)15(18)20-10-14(17)16-11-6-2-3-7-11/h4-5,8-9,11H,2-3,6-7,10H2,1H3,(H,16,17)
InChIKeyGLUKHDOQFUZNHX-UHFFFAOYSA-N
XLogP1.91
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(cyclopentylamino)-2-oxoethyl] 2-methoxybenzoate?
The IUPAC name of [2-(cyclopentylamino)-2-oxoethyl] 2-methoxybenzoate (CID 4162556) is [2-(cyclopentylamino)-2-oxoethyl] 2-methoxybenzoate.
What is the SMILES notation for [2-(cyclopentylamino)-2-oxoethyl] 2-methoxybenzoate?
The canonical SMILES for [2-(cyclopentylamino)-2-oxoethyl] 2-methoxybenzoate is COc1ccccc1C(=O)OCC(=O)NC1CCCC1.
What is the InChIKey of [2-(cyclopentylamino)-2-oxoethyl] 2-methoxybenzoate?
The InChIKey is GLUKHDOQFUZNHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-19-13-9-5-4-8-12(13)15(18)20-10-14(17)16-11-6-2-3-7-11/h4-5,8-9,11H,2-3,6-7,10H2,1H3,(H,16,17).
What are the key properties of [2-(cyclopentylamino)-2-oxoethyl] 2-methoxybenzoate?
[2-(cyclopentylamino)-2-oxoethyl] 2-methoxybenzoate has a molecular weight of 277.32 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopentylamino)-2-oxoethyl] 2-methoxybenzoate is sourced from PubChem (CID 4162556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).