1-[(2R,4S)-4-methoxy-2-(2,2,6,6-tetramethylmorpholine-4-carbonyl)pyrrolidin-1-yl]ethanone

C16H28N2O4 — CID 136581285

IUPAC1-[(2R,4S)-4-methoxy-2-(2,2,6,6-tetramethylmorpholine-4-carbonyl)pyrrolidin-1-yl]ethanone
SMILESCO[C@H]1C[C@H](C(=O)N2CC(C)(C)OC(C)(C)C2)N(C(C)=O)C1
InChIInChI=1S/C16H28N2O4/c1-11(19)18-8-12(21-6)7-13(18)14(20)17-9-15(2,3)22-16(4,5)10-17/h12-13H,7-10H2,1-6H3/t12-,13+/m0/s1
InChIKeyHWQPVTVIUGGKCH-QWHCGFSZSA-N
MW312.41 g/mol
LogP1.04
Rot. Bonds2

About 1-[(2R,4S)-4-methoxy-2-(2,2,6,6-tetramethylmorpholine-4-carbonyl)pyrrolidin-1-yl]ethanone

1-[(2R,4S)-4-methoxy-2-(2,2,6,6-tetramethylmorpholine-4-carbonyl)pyrrolidin-1-yl]ethanone (PubChem CID 136581285) has the molecular formula C16H28N2O4 and a molecular weight of 312.41 g/mol. Its IUPAC name is 1-[(2R,4S)-4-methoxy-2-(2,2,6,6-tetramethylmorpholine-4-carbonyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2R,4S)-4-methoxy-2-(2,2,6,6-tetramethylmorpholine-4-carbonyl)pyrrolidin-1-yl]ethanone
PubChem CID136581285
Molecular FormulaC16H28N2O4
Molecular Weight312.41 g/mol
Exact Mass312.20
IUPAC Name1-[(2R,4S)-4-methoxy-2-(2,2,6,6-tetramethylmorpholine-4-carbonyl)pyrrolidin-1-yl]ethanone
SMILESCO[C@H]1C[C@H](C(=O)N2CC(C)(C)OC(C)(C)C2)N(C(C)=O)C1
InChIInChI=1S/C16H28N2O4/c1-11(19)18-8-12(21-6)7-13(18)14(20)17-9-15(2,3)22-16(4,5)10-17/h12-13H,7-10H2,1-6H3/t12-,13+/m0/s1
InChIKeyHWQPVTVIUGGKCH-QWHCGFSZSA-N
XLogP1.04
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R,4S)-4-methoxy-2-(2,2,6,6-tetramethylmorpholine-4-carbonyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[(2R,4S)-4-methoxy-2-(2,2,6,6-tetramethylmorpholine-4-carbonyl)pyrrolidin-1-yl]ethanone (CID 136581285) is 1-[(2R,4S)-4-methoxy-2-(2,2,6,6-tetramethylmorpholine-4-carbonyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[(2R,4S)-4-methoxy-2-(2,2,6,6-tetramethylmorpholine-4-carbonyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[(2R,4S)-4-methoxy-2-(2,2,6,6-tetramethylmorpholine-4-carbonyl)pyrrolidin-1-yl]ethanone is CO[C@H]1C[C@H](C(=O)N2CC(C)(C)OC(C)(C)C2)N(C(C)=O)C1.
What is the InChIKey of 1-[(2R,4S)-4-methoxy-2-(2,2,6,6-tetramethylmorpholine-4-carbonyl)pyrrolidin-1-yl]ethanone?
The InChIKey is HWQPVTVIUGGKCH-QWHCGFSZSA-N. The full InChI is InChI=1S/C16H28N2O4/c1-11(19)18-8-12(21-6)7-13(18)14(20)17-9-15(2,3)22-16(4,5)10-17/h12-13H,7-10H2,1-6H3/t12-,13+/m0/s1.
What are the key properties of 1-[(2R,4S)-4-methoxy-2-(2,2,6,6-tetramethylmorpholine-4-carbonyl)pyrrolidin-1-yl]ethanone?
1-[(2R,4S)-4-methoxy-2-(2,2,6,6-tetramethylmorpholine-4-carbonyl)pyrrolidin-1-yl]ethanone has a molecular weight of 312.41 g/mol, XLogP of 1.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,4S)-4-methoxy-2-(2,2,6,6-tetramethylmorpholine-4-carbonyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 136581285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).