N-[2-[(2R)-4-cyclopentylmorpholin-2-yl]ethyl]-5-hydroxy-4-oxopyran-2-carboxamide

C17H24N2O5 — CID 95195502

IUPACN-[2-[(2R)-4-cyclopentylmorpholin-2-yl]ethyl]-5-hydroxy-4-oxopyran-2-carboxamide
SMILESO=C(NCC[C@@H]1CN(C2CCCC2)CCO1)c1cc(=O)c(O)co1
InChIInChI=1S/C17H24N2O5/c20-14-9-16(24-11-15(14)21)17(22)18-6-5-13-10-19(7-8-23-13)12-3-1-2-4-12/h9,11-13,21H,1-8,10H2,(H,18,22)/t13-/m1/s1
InChIKeyOOQGNSPYBWSEDZ-CYBMUJFWSA-N
MW336.39 g/mol
LogP1.11
Rot. Bonds5

About N-[2-[(2R)-4-cyclopentylmorpholin-2-yl]ethyl]-5-hydroxy-4-oxopyran-2-carboxamide

N-[2-[(2R)-4-cyclopentylmorpholin-2-yl]ethyl]-5-hydroxy-4-oxopyran-2-carboxamide (PubChem CID 95195502) has the molecular formula C17H24N2O5 and a molecular weight of 336.39 g/mol. Its IUPAC name is N-[2-[(2R)-4-cyclopentylmorpholin-2-yl]ethyl]-5-hydroxy-4-oxopyran-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(2R)-4-cyclopentylmorpholin-2-yl]ethyl]-5-hydroxy-4-oxopyran-2-carboxamide
PubChem CID95195502
Molecular FormulaC17H24N2O5
Molecular Weight336.39 g/mol
Exact Mass336.17
IUPAC NameN-[2-[(2R)-4-cyclopentylmorpholin-2-yl]ethyl]-5-hydroxy-4-oxopyran-2-carboxamide
SMILESO=C(NCC[C@@H]1CN(C2CCCC2)CCO1)c1cc(=O)c(O)co1
InChIInChI=1S/C17H24N2O5/c20-14-9-16(24-11-15(14)21)17(22)18-6-5-13-10-19(7-8-23-13)12-3-1-2-4-12/h9,11-13,21H,1-8,10H2,(H,18,22)/t13-/m1/s1
InChIKeyOOQGNSPYBWSEDZ-CYBMUJFWSA-N
XLogP1.11
TPSA92.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(2R)-4-cyclopentylmorpholin-2-yl]ethyl]-5-hydroxy-4-oxopyran-2-carboxamide?
The IUPAC name of N-[2-[(2R)-4-cyclopentylmorpholin-2-yl]ethyl]-5-hydroxy-4-oxopyran-2-carboxamide (CID 95195502) is N-[2-[(2R)-4-cyclopentylmorpholin-2-yl]ethyl]-5-hydroxy-4-oxopyran-2-carboxamide.
What is the SMILES notation for N-[2-[(2R)-4-cyclopentylmorpholin-2-yl]ethyl]-5-hydroxy-4-oxopyran-2-carboxamide?
The canonical SMILES for N-[2-[(2R)-4-cyclopentylmorpholin-2-yl]ethyl]-5-hydroxy-4-oxopyran-2-carboxamide is O=C(NCC[C@@H]1CN(C2CCCC2)CCO1)c1cc(=O)c(O)co1.
What is the InChIKey of N-[2-[(2R)-4-cyclopentylmorpholin-2-yl]ethyl]-5-hydroxy-4-oxopyran-2-carboxamide?
The InChIKey is OOQGNSPYBWSEDZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H24N2O5/c20-14-9-16(24-11-15(14)21)17(22)18-6-5-13-10-19(7-8-23-13)12-3-1-2-4-12/h9,11-13,21H,1-8,10H2,(H,18,22)/t13-/m1/s1.
What are the key properties of N-[2-[(2R)-4-cyclopentylmorpholin-2-yl]ethyl]-5-hydroxy-4-oxopyran-2-carboxamide?
N-[2-[(2R)-4-cyclopentylmorpholin-2-yl]ethyl]-5-hydroxy-4-oxopyran-2-carboxamide has a molecular weight of 336.39 g/mol, XLogP of 1.11, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2R)-4-cyclopentylmorpholin-2-yl]ethyl]-5-hydroxy-4-oxopyran-2-carboxamide is sourced from PubChem (CID 95195502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).