[(2R)-5-oxopyrrolidin-2-yl]methyl N-[(2-methoxy-6-methyl-3-pyridinyl)methyl]carbamate

C14H19N3O4 — CID 171490138

IUPAC[(2R)-5-oxopyrrolidin-2-yl]methyl N-[(2-methoxy-6-methyl-3-pyridinyl)methyl]carbamate
SMILESCOc1nc(C)ccc1CNC(=O)OC[C@H]1CCC(=O)N1
InChIInChI=1S/C14H19N3O4/c1-9-3-4-10(13(16-9)20-2)7-15-14(19)21-8-11-5-6-12(18)17-11/h3-4,11H,5-8H2,1-2H3,(H,15,19)(H,17,18)/t11-/m1/s1
InChIKeyKZLJLWKZQFEFQZ-LLVKDONJSA-N
MW293.32 g/mol
LogP0.90
Rot. Bonds5

About [(2R)-5-oxopyrrolidin-2-yl]methyl N-[(2-methoxy-6-methyl-3-pyridinyl)methyl]carbamate

[(2R)-5-oxopyrrolidin-2-yl]methyl N-[(2-methoxy-6-methyl-3-pyridinyl)methyl]carbamate (PubChem CID 171490138) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is [(2R)-5-oxopyrrolidin-2-yl]methyl N-[(2-methoxy-6-methyl-3-pyridinyl)methyl]carbamate.

Molecular Properties

Compound Name[(2R)-5-oxopyrrolidin-2-yl]methyl N-[(2-methoxy-6-methyl-3-pyridinyl)methyl]carbamate
PubChem CID171490138
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name[(2R)-5-oxopyrrolidin-2-yl]methyl N-[(2-methoxy-6-methyl-3-pyridinyl)methyl]carbamate
SMILESCOc1nc(C)ccc1CNC(=O)OC[C@H]1CCC(=O)N1
InChIInChI=1S/C14H19N3O4/c1-9-3-4-10(13(16-9)20-2)7-15-14(19)21-8-11-5-6-12(18)17-11/h3-4,11H,5-8H2,1-2H3,(H,15,19)(H,17,18)/t11-/m1/s1
InChIKeyKZLJLWKZQFEFQZ-LLVKDONJSA-N
XLogP0.90
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S)-5-oxopyrrolidin-2-yl]methyl N-[(6-bromo-2-methoxy-3-pyridinyl)methyl]carbamate
CID 171489847
(5S)-5-[[(2-methoxy-6-methyl-3-pyridinyl)methyl-methylamino]methyl]pyrrolidin-2-one
CID 171490211
(5-bromo-3-methoxypyrazin-2-yl)methyl N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]carbamate
CID 139415855
(5R)-5-[[[6-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2R)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]methyl]pyrrolidin-2-one
CID 146206736
(5R)-5-[[[6-[3-[2-bromo-3-[6-methoxy-5-[[[(2R)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]phenyl]-2-chlorophenyl]-2-methoxy-3-pyridinyl]methylamino]methyl]pyrrolidin-2-one
CID 146206612
(5S)-5-[[[6-[2-chloro-3-[2-chloro-3-[5-[(2-hydroxyethylamino)methyl]-6-methoxy-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]methyl]pyrrolidin-2-one
CID 146206915
3-[(2-methoxy-6-methyl-3-pyridinyl)methylamino]-2,2-dimethylpropanoic acid
CID 171489816
(4S)-3-(cyclobutanecarbonyl)-N-[(2-methoxy-6-methyl-3-pyridinyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 95337207
3-hydroxy-2-[(2-methoxy-6-methyl-3-pyridinyl)methylamino]propanoic acid
CID 145435857
tert-butyl [(2S)-5-oxopyrrolidin-2-yl]methyl carbonate
CID 11148606
(5-oxopyrrolidin-2-yl)methyl 2-methyl-5-methylsulfanylbenzoate
CID 78844119
2-benzyl-1-[(2-methoxy-6-methyl-3-pyridinyl)methyl]guanidine
CID 75532469

Frequently Asked Questions

What is the IUPAC name of [(2R)-5-oxopyrrolidin-2-yl]methyl N-[(2-methoxy-6-methyl-3-pyridinyl)methyl]carbamate?
The IUPAC name of [(2R)-5-oxopyrrolidin-2-yl]methyl N-[(2-methoxy-6-methyl-3-pyridinyl)methyl]carbamate (CID 171490138) is [(2R)-5-oxopyrrolidin-2-yl]methyl N-[(2-methoxy-6-methyl-3-pyridinyl)methyl]carbamate.
What is the SMILES notation for [(2R)-5-oxopyrrolidin-2-yl]methyl N-[(2-methoxy-6-methyl-3-pyridinyl)methyl]carbamate?
The canonical SMILES for [(2R)-5-oxopyrrolidin-2-yl]methyl N-[(2-methoxy-6-methyl-3-pyridinyl)methyl]carbamate is COc1nc(C)ccc1CNC(=O)OC[C@H]1CCC(=O)N1.
What is the InChIKey of [(2R)-5-oxopyrrolidin-2-yl]methyl N-[(2-methoxy-6-methyl-3-pyridinyl)methyl]carbamate?
The InChIKey is KZLJLWKZQFEFQZ-LLVKDONJSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-9-3-4-10(13(16-9)20-2)7-15-14(19)21-8-11-5-6-12(18)17-11/h3-4,11H,5-8H2,1-2H3,(H,15,19)(H,17,18)/t11-/m1/s1.
What are the key properties of [(2R)-5-oxopyrrolidin-2-yl]methyl N-[(2-methoxy-6-methyl-3-pyridinyl)methyl]carbamate?
[(2R)-5-oxopyrrolidin-2-yl]methyl N-[(2-methoxy-6-methyl-3-pyridinyl)methyl]carbamate has a molecular weight of 293.32 g/mol, XLogP of 0.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-5-oxopyrrolidin-2-yl]methyl N-[(2-methoxy-6-methyl-3-pyridinyl)methyl]carbamate is sourced from PubChem (CID 171490138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).