[2-(cyclopentylamino)-2-oxoethyl] 2-methylfuran-3-carboxylate

C13H17NO4 — CID 8966386

IUPAC[2-(cyclopentylamino)-2-oxoethyl] 2-methylfuran-3-carboxylate
SMILESCc1occc1C(=O)OCC(=O)NC1CCCC1
InChIInChI=1S/C13H17NO4/c1-9-11(6-7-17-9)13(16)18-8-12(15)14-10-4-2-3-5-10/h6-7,10H,2-5,8H2,1H3,(H,14,15)
InChIKeyXPTVPEAFWDPPLW-UHFFFAOYSA-N
MW251.28 g/mol
LogP1.80
Rot. Bonds4

About [2-(cyclopentylamino)-2-oxoethyl] 2-methylfuran-3-carboxylate

[2-(cyclopentylamino)-2-oxoethyl] 2-methylfuran-3-carboxylate (PubChem CID 8966386) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is [2-(cyclopentylamino)-2-oxoethyl] 2-methylfuran-3-carboxylate.

Molecular Properties

Compound Name[2-(cyclopentylamino)-2-oxoethyl] 2-methylfuran-3-carboxylate
PubChem CID8966386
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name[2-(cyclopentylamino)-2-oxoethyl] 2-methylfuran-3-carboxylate
SMILESCc1occc1C(=O)OCC(=O)NC1CCCC1
InChIInChI=1S/C13H17NO4/c1-9-11(6-7-17-9)13(16)18-8-12(15)14-10-4-2-3-5-10/h6-7,10H,2-5,8H2,1H3,(H,14,15)
InChIKeyXPTVPEAFWDPPLW-UHFFFAOYSA-N
XLogP1.80
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 ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(cyclopentylamino)-1-oxopropan-2-yl] 2-methylfuran-3-carboxylate
CID 17443893
[2-(cyclopentylamino)-2-oxoethyl] 2-amino-5-methylbenzoate
CID 60768674
N-[3-(cyclohexylamino)-3-oxopropyl]-2-methylfuran-3-carboxamide
CID 42780061
[2-(cyclooctylamino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 2578328
N-[3-(cyclohexylamino)-3-oxopropyl]-N-cyclopropyl-2-methylfuran-3-carboxamide
CID 816497
[2-(cyclopentylamino)-2-oxoethyl] 2-(methylamino)benzoate
CID 7671223
[2-(cycloheptylamino)-2-oxoethyl] 2-chlorobenzoate
CID 4804286
[2-(cyclopentylamino)-2-oxoethyl] 2,4-dihydroxybenzoate
CID 2536840
[2-(cyclohexylamino)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate
CID 2435041
[2-(cyclohexylamino)-2-oxoethyl] 2,4-dihydroxybenzoate
CID 2536941
[2-(cycloheptylamino)-2-oxoethyl] 2,5-dichlorobenzoate
CID 4803859
[2-(cyclooctylamino)-2-oxoethyl] 2,4-dihydroxybenzoate
CID 2536846

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopentylamino)-2-oxoethyl] 2-methylfuran-3-carboxylate?
The IUPAC name of [2-(cyclopentylamino)-2-oxoethyl] 2-methylfuran-3-carboxylate (CID 8966386) is [2-(cyclopentylamino)-2-oxoethyl] 2-methylfuran-3-carboxylate.
What is the SMILES notation for [2-(cyclopentylamino)-2-oxoethyl] 2-methylfuran-3-carboxylate?
The canonical SMILES for [2-(cyclopentylamino)-2-oxoethyl] 2-methylfuran-3-carboxylate is Cc1occc1C(=O)OCC(=O)NC1CCCC1.
What is the InChIKey of [2-(cyclopentylamino)-2-oxoethyl] 2-methylfuran-3-carboxylate?
The InChIKey is XPTVPEAFWDPPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c1-9-11(6-7-17-9)13(16)18-8-12(15)14-10-4-2-3-5-10/h6-7,10H,2-5,8H2,1H3,(H,14,15).
What are the key properties of [2-(cyclopentylamino)-2-oxoethyl] 2-methylfuran-3-carboxylate?
[2-(cyclopentylamino)-2-oxoethyl] 2-methylfuran-3-carboxylate has a molecular weight of 251.28 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopentylamino)-2-oxoethyl] 2-methylfuran-3-carboxylate is sourced from PubChem (CID 8966386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).