[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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Related Compounds

Furoyl-Leucine
CID 774282
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate
CID 2099363
[2-(cyclohexylamino)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate
CID 2365694
[2-oxo-2-(propylamino)ethyl] (E)-3-(5-methylfuran-2-yl)prop-2-enoate
CID 2477385
Furan-2-carboxylic acid 1-cyclopentylcarbamoyl-ethyl ester
CID 3220201
Furan-2-carboxylic acid 1-cyclopentylcarbamoyl-propyl ester
CID 3220216
[1-(Cyclohexylmethylamino)-1-oxopropan-2-yl] 5-bromofuran-2-carboxylate
CID 4875746
Furan-2-carboxylic acid 1-methyl-2-(4-methyl-piperidin-1-yl)-ethyl ester
CID 24792334
Furan-2-carboxylic acid 1-(4-methyl-benzylcarbamoyl)-propyl ester
CID 654469
Furan-2-carboxylic acid 1-cyclohexylcarbamoyl-2-methyl-propyl ester
CID 654589
Furan-2-carboxylic acid 1-[(furan-2-ylmethyl)-carbamoyl]-propyl ester
CID 656068
(2-Oxo-2-pyrrolidin-1-ylethyl) furan-2-carboxylate
CID 2351711

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).