[1-(cyclopentylamino)-1-oxobutan-2-yl] furan-2-carboxylate

C14H19NO4 — CID 3220216

IUPAC[1-(cyclopentylamino)-1-oxobutan-2-yl] furan-2-carboxylate
SMILESCCC(OC(=O)c1ccco1)C(=O)NC1CCCC1
InChIInChI=1S/C14H19NO4/c1-2-11(13(16)15-10-6-3-4-7-10)19-14(17)12-8-5-9-18-12/h5,8-11H,2-4,6-7H2,1H3,(H,15,16)
InChIKeyFTRBULXVESJTID-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.27
Rot. Bonds5

About [1-(cyclopentylamino)-1-oxobutan-2-yl] furan-2-carboxylate

[1-(cyclopentylamino)-1-oxobutan-2-yl] furan-2-carboxylate (PubChem CID 3220216) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is [1-(cyclopentylamino)-1-oxobutan-2-yl] furan-2-carboxylate.

Molecular Properties

Compound Name[1-(cyclopentylamino)-1-oxobutan-2-yl] furan-2-carboxylate
PubChem CID3220216
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name[1-(cyclopentylamino)-1-oxobutan-2-yl] furan-2-carboxylate
SMILESCCC(OC(=O)c1ccco1)C(=O)NC1CCCC1
InChIInChI=1S/C14H19NO4/c1-2-11(13(16)15-10-6-3-4-7-10)19-14(17)12-8-5-9-18-12/h5,8-11H,2-4,6-7H2,1H3,(H,15,16)
InChIKeyFTRBULXVESJTID-UHFFFAOYSA-N
XLogP2.27
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(cyclopentylamino)-1-oxobutan-2-yl] furan-2-carboxylate?
The IUPAC name of [1-(cyclopentylamino)-1-oxobutan-2-yl] furan-2-carboxylate (CID 3220216) is [1-(cyclopentylamino)-1-oxobutan-2-yl] furan-2-carboxylate.
What is the SMILES notation for [1-(cyclopentylamino)-1-oxobutan-2-yl] furan-2-carboxylate?
The canonical SMILES for [1-(cyclopentylamino)-1-oxobutan-2-yl] furan-2-carboxylate is CCC(OC(=O)c1ccco1)C(=O)NC1CCCC1.
What is the InChIKey of [1-(cyclopentylamino)-1-oxobutan-2-yl] furan-2-carboxylate?
The InChIKey is FTRBULXVESJTID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-2-11(13(16)15-10-6-3-4-7-10)19-14(17)12-8-5-9-18-12/h5,8-11H,2-4,6-7H2,1H3,(H,15,16).
What are the key properties of [1-(cyclopentylamino)-1-oxobutan-2-yl] furan-2-carboxylate?
[1-(cyclopentylamino)-1-oxobutan-2-yl] furan-2-carboxylate has a molecular weight of 265.31 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopentylamino)-1-oxobutan-2-yl] furan-2-carboxylate is sourced from PubChem (CID 3220216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).