[2-(cyclopentylamino)-2-oxoethyl] furan-2-carboxylate

C12H15NO4 — CID 1470227

IUPAC[2-(cyclopentylamino)-2-oxoethyl] furan-2-carboxylate
SMILESO=C(COC(=O)c1ccco1)NC1CCCC1
InChIInChI=1S/C12H15NO4/c14-11(13-9-4-1-2-5-9)8-17-12(15)10-6-3-7-16-10/h3,6-7,9H,1-2,4-5,8H2,(H,13,14)
InChIKeySPQJEAQWLSRWDJ-UHFFFAOYSA-N
MW237.25 g/mol
LogP1.50
Rot. Bonds4

About [2-(cyclopentylamino)-2-oxoethyl] furan-2-carboxylate

[2-(cyclopentylamino)-2-oxoethyl] furan-2-carboxylate (PubChem CID 1470227) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is [2-(cyclopentylamino)-2-oxoethyl] furan-2-carboxylate.

Molecular Properties

Compound Name[2-(cyclopentylamino)-2-oxoethyl] furan-2-carboxylate
PubChem CID1470227
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name[2-(cyclopentylamino)-2-oxoethyl] furan-2-carboxylate
SMILESO=C(COC(=O)c1ccco1)NC1CCCC1
InChIInChI=1S/C12H15NO4/c14-11(13-9-4-1-2-5-9)8-17-12(15)10-6-3-7-16-10/h3,6-7,9H,1-2,4-5,8H2,(H,13,14)
InChIKeySPQJEAQWLSRWDJ-UHFFFAOYSA-N
XLogP1.50
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(cyclopentylamino)-2-oxoethyl] furan-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopentylamino)-2-oxoethyl] furan-2-carboxylate?
The IUPAC name of [2-(cyclopentylamino)-2-oxoethyl] furan-2-carboxylate (CID 1470227) is [2-(cyclopentylamino)-2-oxoethyl] furan-2-carboxylate.
What is the SMILES notation for [2-(cyclopentylamino)-2-oxoethyl] furan-2-carboxylate?
The canonical SMILES for [2-(cyclopentylamino)-2-oxoethyl] furan-2-carboxylate is O=C(COC(=O)c1ccco1)NC1CCCC1.
What is the InChIKey of [2-(cyclopentylamino)-2-oxoethyl] furan-2-carboxylate?
The InChIKey is SPQJEAQWLSRWDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c14-11(13-9-4-1-2-5-9)8-17-12(15)10-6-3-7-16-10/h3,6-7,9H,1-2,4-5,8H2,(H,13,14).
What are the key properties of [2-(cyclopentylamino)-2-oxoethyl] furan-2-carboxylate?
[2-(cyclopentylamino)-2-oxoethyl] furan-2-carboxylate has a molecular weight of 237.25 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopentylamino)-2-oxoethyl] furan-2-carboxylate is sourced from PubChem (CID 1470227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).