3-amino-1-[(1S,2R,4R)-2-methoxy-4-[methyl(propan-2-yl)amino]cyclohexyl]pyrrolidin-2-one

C15H29N3O2 — CID 68769056

IUPAC3-amino-1-[(1S,2R,4R)-2-methoxy-4-[methyl(propan-2-yl)amino]cyclohexyl]pyrrolidin-2-one
SMILESCO[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1N1CCC(N)C1=O
InChIInChI=1S/C15H29N3O2/c1-10(2)17(3)11-5-6-13(14(9-11)20-4)18-8-7-12(16)15(18)19/h10-14H,5-9,16H2,1-4H3/t11-,12?,13+,14-/m1/s1
InChIKeyJMOYZZRYUFMVSE-NIWMIYJQSA-N
MW283.42 g/mol
LogP0.82
Rot. Bonds4

About 3-amino-1-[(1S,2R,4R)-2-methoxy-4-[methyl(propan-2-yl)amino]cyclohexyl]pyrrolidin-2-one

3-amino-1-[(1S,2R,4R)-2-methoxy-4-[methyl(propan-2-yl)amino]cyclohexyl]pyrrolidin-2-one (PubChem CID 68769056) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is 3-amino-1-[(1S,2R,4R)-2-methoxy-4-[methyl(propan-2-yl)amino]cyclohexyl]pyrrolidin-2-one.

Molecular Properties

Compound Name3-amino-1-[(1S,2R,4R)-2-methoxy-4-[methyl(propan-2-yl)amino]cyclohexyl]pyrrolidin-2-one
PubChem CID68769056
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Name3-amino-1-[(1S,2R,4R)-2-methoxy-4-[methyl(propan-2-yl)amino]cyclohexyl]pyrrolidin-2-one
SMILESCO[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1N1CCC(N)C1=O
InChIInChI=1S/C15H29N3O2/c1-10(2)17(3)11-5-6-13(14(9-11)20-4)18-8-7-12(16)15(18)19/h10-14H,5-9,16H2,1-4H3/t11-,12?,13+,14-/m1/s1
InChIKeyJMOYZZRYUFMVSE-NIWMIYJQSA-N
XLogP0.82
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[(1S,2R,4R)-2-methoxy-4-[methyl(propan-2-yl)amino]cyclohexyl]pyrrolidin-2-one?
The IUPAC name of 3-amino-1-[(1S,2R,4R)-2-methoxy-4-[methyl(propan-2-yl)amino]cyclohexyl]pyrrolidin-2-one (CID 68769056) is 3-amino-1-[(1S,2R,4R)-2-methoxy-4-[methyl(propan-2-yl)amino]cyclohexyl]pyrrolidin-2-one.
What is the SMILES notation for 3-amino-1-[(1S,2R,4R)-2-methoxy-4-[methyl(propan-2-yl)amino]cyclohexyl]pyrrolidin-2-one?
The canonical SMILES for 3-amino-1-[(1S,2R,4R)-2-methoxy-4-[methyl(propan-2-yl)amino]cyclohexyl]pyrrolidin-2-one is CO[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1N1CCC(N)C1=O.
What is the InChIKey of 3-amino-1-[(1S,2R,4R)-2-methoxy-4-[methyl(propan-2-yl)amino]cyclohexyl]pyrrolidin-2-one?
The InChIKey is JMOYZZRYUFMVSE-NIWMIYJQSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-10(2)17(3)11-5-6-13(14(9-11)20-4)18-8-7-12(16)15(18)19/h10-14H,5-9,16H2,1-4H3/t11-,12?,13+,14-/m1/s1.
What are the key properties of 3-amino-1-[(1S,2R,4R)-2-methoxy-4-[methyl(propan-2-yl)amino]cyclohexyl]pyrrolidin-2-one?
3-amino-1-[(1S,2R,4R)-2-methoxy-4-[methyl(propan-2-yl)amino]cyclohexyl]pyrrolidin-2-one has a molecular weight of 283.42 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[(1S,2R,4R)-2-methoxy-4-[methyl(propan-2-yl)amino]cyclohexyl]pyrrolidin-2-one is sourced from PubChem (CID 68769056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).