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

C15H18N2O4 — CID 2516943

IUPAC[2-(cyclopentylcarbamoylamino)-2-oxoethyl] benzoate
SMILESO=C(COC(=O)c1ccccc1)NC(=O)NC1CCCC1
InChIInChI=1S/C15H18N2O4/c18-13(17-15(20)16-12-8-4-5-9-12)10-21-14(19)11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10H2,(H2,16,17,18,20)
InChIKeyOVLXYDDIBXCQGS-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.61
Rot. Bonds4

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

[2-(cyclopentylcarbamoylamino)-2-oxoethyl] benzoate (PubChem CID 2516943) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is [2-(cyclopentylcarbamoylamino)-2-oxoethyl] benzoate.

Molecular Properties

Compound Name[2-(cyclopentylcarbamoylamino)-2-oxoethyl] benzoate
PubChem CID2516943
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name[2-(cyclopentylcarbamoylamino)-2-oxoethyl] benzoate
SMILESO=C(COC(=O)c1ccccc1)NC(=O)NC1CCCC1
InChIInChI=1S/C15H18N2O4/c18-13(17-15(20)16-12-8-4-5-9-12)10-21-14(19)11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10H2,(H2,16,17,18,20)
InChIKeyOVLXYDDIBXCQGS-UHFFFAOYSA-N
XLogP1.61
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(cyclopentylcarbamoylamino)-2-oxoethyl] benzoate?
The IUPAC name of [2-(cyclopentylcarbamoylamino)-2-oxoethyl] benzoate (CID 2516943) is [2-(cyclopentylcarbamoylamino)-2-oxoethyl] benzoate.
What is the SMILES notation for [2-(cyclopentylcarbamoylamino)-2-oxoethyl] benzoate?
The canonical SMILES for [2-(cyclopentylcarbamoylamino)-2-oxoethyl] benzoate is O=C(COC(=O)c1ccccc1)NC(=O)NC1CCCC1.
What is the InChIKey of [2-(cyclopentylcarbamoylamino)-2-oxoethyl] benzoate?
The InChIKey is OVLXYDDIBXCQGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c18-13(17-15(20)16-12-8-4-5-9-12)10-21-14(19)11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10H2,(H2,16,17,18,20).
What are the key properties of [2-(cyclopentylcarbamoylamino)-2-oxoethyl] benzoate?
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] benzoate has a molecular weight of 290.32 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopentylcarbamoylamino)-2-oxoethyl] benzoate is sourced from PubChem (CID 2516943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).