ethyl 5-[[(1R,2R)-2-hydroxycyclopentyl]-methylamino]-7-methyl-2-oxopyrano[3,2-c]pyridine-3-carboxylate

C18H22N2O5 — CID 167896930

IUPACethyl 5-[[(1R,2R)-2-hydroxycyclopentyl]-methylamino]-7-methyl-2-oxopyrano[3,2-c]pyridine-3-carboxylate
SMILESCCOC(=O)c1cc2c(N(C)[C@@H]3CCC[C@H]3O)nc(C)cc2oc1=O
InChIInChI=1S/C18H22N2O5/c1-4-24-17(22)12-9-11-15(25-18(12)23)8-10(2)19-16(11)20(3)13-6-5-7-14(13)21/h8-9,13-14,21H,4-7H2,1-3H3/t13-,14-/m1/s1
InChIKeyRXVXLASEXSRMQY-ZIAGYGMSSA-N
MW346.38 g/mol
LogP2.02
Rot. Bonds4

About ethyl 5-[[(1R,2R)-2-hydroxycyclopentyl]-methylamino]-7-methyl-2-oxopyrano[3,2-c]pyridine-3-carboxylate

ethyl 5-[[(1R,2R)-2-hydroxycyclopentyl]-methylamino]-7-methyl-2-oxopyrano[3,2-c]pyridine-3-carboxylate (PubChem CID 167896930) has the molecular formula C18H22N2O5 and a molecular weight of 346.38 g/mol. Its IUPAC name is ethyl 5-[[(1R,2R)-2-hydroxycyclopentyl]-methylamino]-7-methyl-2-oxopyrano[3,2-c]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[[(1R,2R)-2-hydroxycyclopentyl]-methylamino]-7-methyl-2-oxopyrano[3,2-c]pyridine-3-carboxylate
PubChem CID167896930
Molecular FormulaC18H22N2O5
Molecular Weight346.38 g/mol
Exact Mass346.15
IUPAC Nameethyl 5-[[(1R,2R)-2-hydroxycyclopentyl]-methylamino]-7-methyl-2-oxopyrano[3,2-c]pyridine-3-carboxylate
SMILESCCOC(=O)c1cc2c(N(C)[C@@H]3CCC[C@H]3O)nc(C)cc2oc1=O
InChIInChI=1S/C18H22N2O5/c1-4-24-17(22)12-9-11-15(25-18(12)23)8-10(2)19-16(11)20(3)13-6-5-7-14(13)21/h8-9,13-14,21H,4-7H2,1-3H3/t13-,14-/m1/s1
InChIKeyRXVXLASEXSRMQY-ZIAGYGMSSA-N
XLogP2.02
TPSA92.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 5-[[(1R,2R)-2-hydroxycyclopentyl]-methylamino]-7-methyl-2-oxopyrano[3,2-c]pyridine-3-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[[(1R,2R)-2-hydroxycyclopentyl]-methylamino]-7-methyl-2-oxopyrano[3,2-c]pyridine-3-carboxylate?
The IUPAC name of ethyl 5-[[(1R,2R)-2-hydroxycyclopentyl]-methylamino]-7-methyl-2-oxopyrano[3,2-c]pyridine-3-carboxylate (CID 167896930) is ethyl 5-[[(1R,2R)-2-hydroxycyclopentyl]-methylamino]-7-methyl-2-oxopyrano[3,2-c]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-[[(1R,2R)-2-hydroxycyclopentyl]-methylamino]-7-methyl-2-oxopyrano[3,2-c]pyridine-3-carboxylate?
The canonical SMILES for ethyl 5-[[(1R,2R)-2-hydroxycyclopentyl]-methylamino]-7-methyl-2-oxopyrano[3,2-c]pyridine-3-carboxylate is CCOC(=O)c1cc2c(N(C)[C@@H]3CCC[C@H]3O)nc(C)cc2oc1=O.
What is the InChIKey of ethyl 5-[[(1R,2R)-2-hydroxycyclopentyl]-methylamino]-7-methyl-2-oxopyrano[3,2-c]pyridine-3-carboxylate?
The InChIKey is RXVXLASEXSRMQY-ZIAGYGMSSA-N. The full InChI is InChI=1S/C18H22N2O5/c1-4-24-17(22)12-9-11-15(25-18(12)23)8-10(2)19-16(11)20(3)13-6-5-7-14(13)21/h8-9,13-14,21H,4-7H2,1-3H3/t13-,14-/m1/s1.
What are the key properties of ethyl 5-[[(1R,2R)-2-hydroxycyclopentyl]-methylamino]-7-methyl-2-oxopyrano[3,2-c]pyridine-3-carboxylate?
ethyl 5-[[(1R,2R)-2-hydroxycyclopentyl]-methylamino]-7-methyl-2-oxopyrano[3,2-c]pyridine-3-carboxylate has a molecular weight of 346.38 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[[(1R,2R)-2-hydroxycyclopentyl]-methylamino]-7-methyl-2-oxopyrano[3,2-c]pyridine-3-carboxylate is sourced from PubChem (CID 167896930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).