methyl 5-[1-[(2-amino-2-oxoethyl)-cyclopentylamino]ethyl]furan-2-carboxylate

C15H22N2O4 — CID 79085101

IUPACmethyl 5-[1-[(2-amino-2-oxoethyl)-cyclopentylamino]ethyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(C(C)N(CC(N)=O)C2CCCC2)o1
InChIInChI=1S/C15H22N2O4/c1-10(12-7-8-13(21-12)15(19)20-2)17(9-14(16)18)11-5-3-4-6-11/h7-8,10-11H,3-6,9H2,1-2H3,(H2,16,18)
InChIKeyMJCJHPSLHINMRT-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.86
Rot. Bonds6

About methyl 5-[1-[(2-amino-2-oxoethyl)-cyclopentylamino]ethyl]furan-2-carboxylate

methyl 5-[1-[(2-amino-2-oxoethyl)-cyclopentylamino]ethyl]furan-2-carboxylate (PubChem CID 79085101) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is methyl 5-[1-[(2-amino-2-oxoethyl)-cyclopentylamino]ethyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[1-[(2-amino-2-oxoethyl)-cyclopentylamino]ethyl]furan-2-carboxylate
PubChem CID79085101
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Namemethyl 5-[1-[(2-amino-2-oxoethyl)-cyclopentylamino]ethyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(C(C)N(CC(N)=O)C2CCCC2)o1
InChIInChI=1S/C15H22N2O4/c1-10(12-7-8-13(21-12)15(19)20-2)17(9-14(16)18)11-5-3-4-6-11/h7-8,10-11H,3-6,9H2,1-2H3,(H2,16,18)
InChIKeyMJCJHPSLHINMRT-UHFFFAOYSA-N
XLogP1.86
TPSA85.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[1-[(2-amino-2-oxoethyl)-cyclopentylamino]ethyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[1-[(2-amino-2-oxoethyl)-cyclopentylamino]ethyl]furan-2-carboxylate (CID 79085101) is methyl 5-[1-[(2-amino-2-oxoethyl)-cyclopentylamino]ethyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[1-[(2-amino-2-oxoethyl)-cyclopentylamino]ethyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[1-[(2-amino-2-oxoethyl)-cyclopentylamino]ethyl]furan-2-carboxylate is COC(=O)c1ccc(C(C)N(CC(N)=O)C2CCCC2)o1.
What is the InChIKey of methyl 5-[1-[(2-amino-2-oxoethyl)-cyclopentylamino]ethyl]furan-2-carboxylate?
The InChIKey is MJCJHPSLHINMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-10(12-7-8-13(21-12)15(19)20-2)17(9-14(16)18)11-5-3-4-6-11/h7-8,10-11H,3-6,9H2,1-2H3,(H2,16,18).
What are the key properties of methyl 5-[1-[(2-amino-2-oxoethyl)-cyclopentylamino]ethyl]furan-2-carboxylate?
methyl 5-[1-[(2-amino-2-oxoethyl)-cyclopentylamino]ethyl]furan-2-carboxylate has a molecular weight of 294.35 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[1-[(2-amino-2-oxoethyl)-cyclopentylamino]ethyl]furan-2-carboxylate is sourced from PubChem (CID 79085101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).