[2-(cyclopentylamino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate

C17H23NO4 — CID 8524336

IUPAC[2-(cyclopentylamino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate
SMILESCOc1ccccc1CCC(=O)OCC(=O)NC1CCCC1
InChIInChI=1S/C17H23NO4/c1-21-15-9-5-2-6-13(15)10-11-17(20)22-12-16(19)18-14-7-3-4-8-14/h2,5-6,9,14H,3-4,7-8,10-12H2,1H3,(H,18,19)
InChIKeyXUEMFBILCTWQEY-UHFFFAOYSA-N
MW305.37 g/mol
LogP2.23
Rot. Bonds7

About [2-(cyclopentylamino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate

[2-(cyclopentylamino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate (PubChem CID 8524336) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is [2-(cyclopentylamino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate.

Molecular Properties

Compound Name[2-(cyclopentylamino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate
PubChem CID8524336
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Name[2-(cyclopentylamino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate
SMILESCOc1ccccc1CCC(=O)OCC(=O)NC1CCCC1
InChIInChI=1S/C17H23NO4/c1-21-15-9-5-2-6-13(15)10-11-17(20)22-12-16(19)18-14-7-3-4-8-14/h2,5-6,9,14H,3-4,7-8,10-12H2,1H3,(H,18,19)
InChIKeyXUEMFBILCTWQEY-UHFFFAOYSA-N
XLogP2.23
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 52.23
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] 3-(2-methoxyphenyl)propanoate?
The IUPAC name of [2-(cyclopentylamino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate (CID 8524336) is [2-(cyclopentylamino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate.
What is the SMILES notation for [2-(cyclopentylamino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate?
The canonical SMILES for [2-(cyclopentylamino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate is COc1ccccc1CCC(=O)OCC(=O)NC1CCCC1.
What is the InChIKey of [2-(cyclopentylamino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate?
The InChIKey is XUEMFBILCTWQEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO4/c1-21-15-9-5-2-6-13(15)10-11-17(20)22-12-16(19)18-14-7-3-4-8-14/h2,5-6,9,14H,3-4,7-8,10-12H2,1H3,(H,18,19).
What are the key properties of [2-(cyclopentylamino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate?
[2-(cyclopentylamino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate has a molecular weight of 305.37 g/mol, XLogP of 2.23, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopentylamino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate is sourced from PubChem (CID 8524336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).