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

C13H17NO4 — CID 3220201

IUPAC[1-(cyclopentylamino)-1-oxopropan-2-yl] furan-2-carboxylate
SMILESCC(OC(=O)c1ccco1)C(=O)NC1CCCC1
InChIInChI=1S/C13H17NO4/c1-9(12(15)14-10-5-2-3-6-10)18-13(16)11-7-4-8-17-11/h4,7-10H,2-3,5-6H2,1H3,(H,14,15)
InChIKeySTKCBAHSBGAFSA-UHFFFAOYSA-N
MW251.28 g/mol
LogP1.88
Rot. Bonds4

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

[1-(cyclopentylamino)-1-oxopropan-2-yl] furan-2-carboxylate (PubChem CID 3220201) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is [1-(cyclopentylamino)-1-oxopropan-2-yl] furan-2-carboxylate.

Molecular Properties

Compound Name[1-(cyclopentylamino)-1-oxopropan-2-yl] furan-2-carboxylate
PubChem CID3220201
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name[1-(cyclopentylamino)-1-oxopropan-2-yl] furan-2-carboxylate
SMILESCC(OC(=O)c1ccco1)C(=O)NC1CCCC1
InChIInChI=1S/C13H17NO4/c1-9(12(15)14-10-5-2-3-6-10)18-13(16)11-7-4-8-17-11/h4,7-10H,2-3,5-6H2,1H3,(H,14,15)
InChIKeySTKCBAHSBGAFSA-UHFFFAOYSA-N
XLogP1.88
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(cyclopentylamino)-1-oxopropan-2-yl] furan-2-carboxylate?
The IUPAC name of [1-(cyclopentylamino)-1-oxopropan-2-yl] furan-2-carboxylate (CID 3220201) is [1-(cyclopentylamino)-1-oxopropan-2-yl] furan-2-carboxylate.
What is the SMILES notation for [1-(cyclopentylamino)-1-oxopropan-2-yl] furan-2-carboxylate?
The canonical SMILES for [1-(cyclopentylamino)-1-oxopropan-2-yl] furan-2-carboxylate is CC(OC(=O)c1ccco1)C(=O)NC1CCCC1.
What is the InChIKey of [1-(cyclopentylamino)-1-oxopropan-2-yl] furan-2-carboxylate?
The InChIKey is STKCBAHSBGAFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c1-9(12(15)14-10-5-2-3-6-10)18-13(16)11-7-4-8-17-11/h4,7-10H,2-3,5-6H2,1H3,(H,14,15).
What are the key properties of [1-(cyclopentylamino)-1-oxopropan-2-yl] furan-2-carboxylate?
[1-(cyclopentylamino)-1-oxopropan-2-yl] furan-2-carboxylate has a molecular weight of 251.28 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopentylamino)-1-oxopropan-2-yl] furan-2-carboxylate is sourced from PubChem (CID 3220201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).