[5-[3,5-bis(methoxycarbonyl)phenyl]furan-2-yl]methyl-cyclopentylazanium

C20H24NO5+ — CID 8638620

IUPAC[5-[3,5-bis(methoxycarbonyl)phenyl]furan-2-yl]methyl-cyclopentylazanium
SMILESCOC(=O)c1cc(C(=O)OC)cc(-c2ccc(C[NH2+]C3CCCC3)o2)c1
InChIInChI=1S/C20H23NO5/c1-24-19(22)14-9-13(10-15(11-14)20(23)25-2)18-8-7-17(26-18)12-21-16-5-3-4-6-16/h7-11,16,21H,3-6,12H2,1-2H3/p+1
InChIKeyKZBGCBCGHNQYBW-UHFFFAOYSA-O
MW358.41 g/mol
LogP2.53
Rot. Bonds6

About [5-[3,5-bis(methoxycarbonyl)phenyl]furan-2-yl]methyl-cyclopentylazanium

[5-[3,5-bis(methoxycarbonyl)phenyl]furan-2-yl]methyl-cyclopentylazanium (PubChem CID 8638620) has the molecular formula C20H24NO5+ and a molecular weight of 358.41 g/mol. Its IUPAC name is [5-[3,5-bis(methoxycarbonyl)phenyl]furan-2-yl]methyl-cyclopentylazanium.

Molecular Properties

Compound Name[5-[3,5-bis(methoxycarbonyl)phenyl]furan-2-yl]methyl-cyclopentylazanium
PubChem CID8638620
Molecular FormulaC20H24NO5+
Molecular Weight358.41 g/mol
Exact Mass358.16
IUPAC Name[5-[3,5-bis(methoxycarbonyl)phenyl]furan-2-yl]methyl-cyclopentylazanium
SMILESCOC(=O)c1cc(C(=O)OC)cc(-c2ccc(C[NH2+]C3CCCC3)o2)c1
InChIInChI=1S/C20H23NO5/c1-24-19(22)14-9-13(10-15(11-14)20(23)25-2)18-8-7-17(26-18)12-21-16-5-3-4-6-16/h7-11,16,21H,3-6,12H2,1-2H3/p+1
InChIKeyKZBGCBCGHNQYBW-UHFFFAOYSA-O
XLogP2.53
TPSA82.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-[3,5-bis(methoxycarbonyl)phenyl]furan-2-yl]methyl-cyclopentylazanium?
The IUPAC name of [5-[3,5-bis(methoxycarbonyl)phenyl]furan-2-yl]methyl-cyclopentylazanium (CID 8638620) is [5-[3,5-bis(methoxycarbonyl)phenyl]furan-2-yl]methyl-cyclopentylazanium.
What is the SMILES notation for [5-[3,5-bis(methoxycarbonyl)phenyl]furan-2-yl]methyl-cyclopentylazanium?
The canonical SMILES for [5-[3,5-bis(methoxycarbonyl)phenyl]furan-2-yl]methyl-cyclopentylazanium is COC(=O)c1cc(C(=O)OC)cc(-c2ccc(C[NH2+]C3CCCC3)o2)c1.
What is the InChIKey of [5-[3,5-bis(methoxycarbonyl)phenyl]furan-2-yl]methyl-cyclopentylazanium?
The InChIKey is KZBGCBCGHNQYBW-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H23NO5/c1-24-19(22)14-9-13(10-15(11-14)20(23)25-2)18-8-7-17(26-18)12-21-16-5-3-4-6-16/h7-11,16,21H,3-6,12H2,1-2H3/p+1.
What are the key properties of [5-[3,5-bis(methoxycarbonyl)phenyl]furan-2-yl]methyl-cyclopentylazanium?
[5-[3,5-bis(methoxycarbonyl)phenyl]furan-2-yl]methyl-cyclopentylazanium has a molecular weight of 358.41 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[3,5-bis(methoxycarbonyl)phenyl]furan-2-yl]methyl-cyclopentylazanium is sourced from PubChem (CID 8638620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).