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

C14H17NO3 — CID 2346228

IUPAC[2-(cyclopentylamino)-2-oxoethyl] benzoate
SMILESO=C(COC(=O)c1ccccc1)NC1CCCC1
InChIInChI=1S/C14H17NO3/c16-13(15-12-8-4-5-9-12)10-18-14(17)11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10H2,(H,15,16)
InChIKeyRGQUIZWKWRNFPH-UHFFFAOYSA-N
MW247.29 g/mol
LogP1.90
Rot. Bonds4

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

[2-(cyclopentylamino)-2-oxoethyl] benzoate (PubChem CID 2346228) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is [2-(cyclopentylamino)-2-oxoethyl] benzoate.

Molecular Properties

Compound Name[2-(cyclopentylamino)-2-oxoethyl] benzoate
PubChem CID2346228
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name[2-(cyclopentylamino)-2-oxoethyl] benzoate
SMILESO=C(COC(=O)c1ccccc1)NC1CCCC1
InChIInChI=1S/C14H17NO3/c16-13(15-12-8-4-5-9-12)10-18-14(17)11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10H2,(H,15,16)
InChIKeyRGQUIZWKWRNFPH-UHFFFAOYSA-N
XLogP1.90
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(cyclopentylamino)-2-oxoethyl] benzoate?
The IUPAC name of [2-(cyclopentylamino)-2-oxoethyl] benzoate (CID 2346228) is [2-(cyclopentylamino)-2-oxoethyl] benzoate.
What is the SMILES notation for [2-(cyclopentylamino)-2-oxoethyl] benzoate?
The canonical SMILES for [2-(cyclopentylamino)-2-oxoethyl] benzoate is O=C(COC(=O)c1ccccc1)NC1CCCC1.
What is the InChIKey of [2-(cyclopentylamino)-2-oxoethyl] benzoate?
The InChIKey is RGQUIZWKWRNFPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c16-13(15-12-8-4-5-9-12)10-18-14(17)11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10H2,(H,15,16).
What are the key properties of [2-(cyclopentylamino)-2-oxoethyl] benzoate?
[2-(cyclopentylamino)-2-oxoethyl] benzoate has a molecular weight of 247.29 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopentylamino)-2-oxoethyl] benzoate is sourced from PubChem (CID 2346228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).