[1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl] furan-2-carboxylate

C15H21NO4 — CID 3220206

IUPAC[1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl] furan-2-carboxylate
SMILESCC(C)C(OC(=O)c1ccco1)C(=O)NC1CCCC1
InChIInChI=1S/C15H21NO4/c1-10(2)13(14(17)16-11-6-3-4-7-11)20-15(18)12-8-5-9-19-12/h5,8-11,13H,3-4,6-7H2,1-2H3,(H,16,17)
InChIKeyMEQPASCDSFNMAY-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.52
Rot. Bonds5

About [1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl] furan-2-carboxylate

[1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl] furan-2-carboxylate (PubChem CID 3220206) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is [1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl] furan-2-carboxylate.

Molecular Properties

Compound Name[1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl] furan-2-carboxylate
PubChem CID3220206
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name[1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl] furan-2-carboxylate
SMILESCC(C)C(OC(=O)c1ccco1)C(=O)NC1CCCC1
InChIInChI=1S/C15H21NO4/c1-10(2)13(14(17)16-11-6-3-4-7-11)20-15(18)12-8-5-9-19-12/h5,8-11,13H,3-4,6-7H2,1-2H3,(H,16,17)
InChIKeyMEQPASCDSFNMAY-UHFFFAOYSA-N
XLogP2.52
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl] furan-2-carboxylate?
The IUPAC name of [1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl] furan-2-carboxylate (CID 3220206) is [1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl] furan-2-carboxylate.
What is the SMILES notation for [1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl] furan-2-carboxylate?
The canonical SMILES for [1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl] furan-2-carboxylate is CC(C)C(OC(=O)c1ccco1)C(=O)NC1CCCC1.
What is the InChIKey of [1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl] furan-2-carboxylate?
The InChIKey is MEQPASCDSFNMAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-10(2)13(14(17)16-11-6-3-4-7-11)20-15(18)12-8-5-9-19-12/h5,8-11,13H,3-4,6-7H2,1-2H3,(H,16,17).
What are the key properties of [1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl] furan-2-carboxylate?
[1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl] furan-2-carboxylate has a molecular weight of 279.34 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl] furan-2-carboxylate is sourced from PubChem (CID 3220206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).