[1-(cyclopentylamino)-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate

C14H19NO4 — CID 17443893

IUPAC[1-(cyclopentylamino)-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate
SMILESCc1occc1C(=O)OC(C)C(=O)NC1CCCC1
InChIInChI=1S/C14H19NO4/c1-9-12(7-8-18-9)14(17)19-10(2)13(16)15-11-5-3-4-6-11/h7-8,10-11H,3-6H2,1-2H3,(H,15,16)
InChIKeyNCMMHHWGIFTCJE-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.19
Rot. Bonds4

About [1-(cyclopentylamino)-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate

[1-(cyclopentylamino)-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate (PubChem CID 17443893) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is [1-(cyclopentylamino)-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate.

Molecular Properties

Compound Name[1-(cyclopentylamino)-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate
PubChem CID17443893
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name[1-(cyclopentylamino)-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate
SMILESCc1occc1C(=O)OC(C)C(=O)NC1CCCC1
InChIInChI=1S/C14H19NO4/c1-9-12(7-8-18-9)14(17)19-10(2)13(16)15-11-5-3-4-6-11/h7-8,10-11H,3-6H2,1-2H3,(H,15,16)
InChIKeyNCMMHHWGIFTCJE-UHFFFAOYSA-N
XLogP2.19
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate
CID 43031206
[2-(cyclopentylamino)-2-oxoethyl] 2-methylfuran-3-carboxylate
CID 8966386
[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] furan-2-carboxylate
CID 1469985
[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] 2-hydroxybenzoate
CID 40730891
[1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate
CID 46822727
[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] 2,4-dimethylbenzoate
CID 40699149
[(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate
CID 8968404
[1-(1-adamantylamino)-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate
CID 17477026
[1-(cyclopentylamino)-1-oxopropan-2-yl] 2-iodobenzoate
CID 3463336
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-fluorobenzoate
CID 7508641
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2,5-dimethylthiophene-3-carboxylate
CID 8878392
[1-(cyclopentylamino)-1-oxopropan-2-yl] 5-amino-2-methylbenzoate
CID 61322121

Frequently Asked Questions

What is the IUPAC name of [1-(cyclopentylamino)-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate?
The IUPAC name of [1-(cyclopentylamino)-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate (CID 17443893) is [1-(cyclopentylamino)-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate.
What is the SMILES notation for [1-(cyclopentylamino)-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate?
The canonical SMILES for [1-(cyclopentylamino)-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate is Cc1occc1C(=O)OC(C)C(=O)NC1CCCC1.
What is the InChIKey of [1-(cyclopentylamino)-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate?
The InChIKey is NCMMHHWGIFTCJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-9-12(7-8-18-9)14(17)19-10(2)13(16)15-11-5-3-4-6-11/h7-8,10-11H,3-6H2,1-2H3,(H,15,16).
What are the key properties of [1-(cyclopentylamino)-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate?
[1-(cyclopentylamino)-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate has a molecular weight of 265.31 g/mol, XLogP of 2.19, 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] 2-methylfuran-3-carboxylate is sourced from PubChem (CID 17443893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).