methyl 4-[4-[(5R)-5-acetamido-4-methyl-2-oxooxolan-3-yl]phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate

C20H24N2O5 — CID 54198960

IUPACmethyl 4-[4-[(5R)-5-acetamido-4-methyl-2-oxooxolan-3-yl]phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCOC(=O)N1CC=C(c2ccc(C3C(=O)O[C@@H](NC(C)=O)C3C)cc2)CC1
InChIInChI=1S/C20H24N2O5/c1-12-17(19(24)27-18(12)21-13(2)23)16-6-4-14(5-7-16)15-8-10-22(11-9-15)20(25)26-3/h4-8,12,17-18H,9-11H2,1-3H3,(H,21,23)/t12?,17?,18-/m1/s1
InChIKeyPNVZGFZSIFACCJ-ZZHQXOFYSA-N
MW372.42 g/mol
LogP2.28
Rot. Bonds3

About methyl 4-[4-[(5R)-5-acetamido-4-methyl-2-oxooxolan-3-yl]phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate

methyl 4-[4-[(5R)-5-acetamido-4-methyl-2-oxooxolan-3-yl]phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate (PubChem CID 54198960) has the molecular formula C20H24N2O5 and a molecular weight of 372.42 g/mol. Its IUPAC name is methyl 4-[4-[(5R)-5-acetamido-4-methyl-2-oxooxolan-3-yl]phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[4-[(5R)-5-acetamido-4-methyl-2-oxooxolan-3-yl]phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate
PubChem CID54198960
Molecular FormulaC20H24N2O5
Molecular Weight372.42 g/mol
Exact Mass372.17
IUPAC Namemethyl 4-[4-[(5R)-5-acetamido-4-methyl-2-oxooxolan-3-yl]phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCOC(=O)N1CC=C(c2ccc(C3C(=O)O[C@@H](NC(C)=O)C3C)cc2)CC1
InChIInChI=1S/C20H24N2O5/c1-12-17(19(24)27-18(12)21-13(2)23)16-6-4-14(5-7-16)15-8-10-22(11-9-15)20(25)26-3/h4-8,12,17-18H,9-11H2,1-3H3,(H,21,23)/t12?,17?,18-/m1/s1
InChIKeyPNVZGFZSIFACCJ-ZZHQXOFYSA-N
XLogP2.28
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-[4-[(5R)-5-acetamido-4-methyl-2-oxooxolan-3-yl]phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[4-[(5R)-5-acetamido-4-methyl-2-oxooxolan-3-yl]phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of methyl 4-[4-[(5R)-5-acetamido-4-methyl-2-oxooxolan-3-yl]phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate (CID 54198960) is methyl 4-[4-[(5R)-5-acetamido-4-methyl-2-oxooxolan-3-yl]phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for methyl 4-[4-[(5R)-5-acetamido-4-methyl-2-oxooxolan-3-yl]phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for methyl 4-[4-[(5R)-5-acetamido-4-methyl-2-oxooxolan-3-yl]phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate is COC(=O)N1CC=C(c2ccc(C3C(=O)O[C@@H](NC(C)=O)C3C)cc2)CC1.
What is the InChIKey of methyl 4-[4-[(5R)-5-acetamido-4-methyl-2-oxooxolan-3-yl]phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is PNVZGFZSIFACCJ-ZZHQXOFYSA-N. The full InChI is InChI=1S/C20H24N2O5/c1-12-17(19(24)27-18(12)21-13(2)23)16-6-4-14(5-7-16)15-8-10-22(11-9-15)20(25)26-3/h4-8,12,17-18H,9-11H2,1-3H3,(H,21,23)/t12?,17?,18-/m1/s1.
What are the key properties of methyl 4-[4-[(5R)-5-acetamido-4-methyl-2-oxooxolan-3-yl]phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate?
methyl 4-[4-[(5R)-5-acetamido-4-methyl-2-oxooxolan-3-yl]phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 372.42 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[4-[(5R)-5-acetamido-4-methyl-2-oxooxolan-3-yl]phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 54198960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).