[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-(3-phenyloxaziridin-2-yl)methanone

C15H20N2O4 — CID 176801950

IUPAC[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-(3-phenyloxaziridin-2-yl)methanone
SMILESCOC[C@@H]1C[C@H](OC)CN1C(=O)N1OC1c1ccccc1
InChIInChI=1S/C15H20N2O4/c1-19-10-12-8-13(20-2)9-16(12)15(18)17-14(21-17)11-6-4-3-5-7-11/h3-7,12-14H,8-10H2,1-2H3/t12-,13-,14?,17?/m0/s1
InChIKeyYUKVEIBTPUDKPQ-YRFCHQJDSA-N
MW292.33 g/mol
LogP1.79
Rot. Bonds4

About [(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-(3-phenyloxaziridin-2-yl)methanone

[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-(3-phenyloxaziridin-2-yl)methanone (PubChem CID 176801950) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is [(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-(3-phenyloxaziridin-2-yl)methanone.

Molecular Properties

Compound Name[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-(3-phenyloxaziridin-2-yl)methanone
PubChem CID176801950
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-(3-phenyloxaziridin-2-yl)methanone
SMILESCOC[C@@H]1C[C@H](OC)CN1C(=O)N1OC1c1ccccc1
InChIInChI=1S/C15H20N2O4/c1-19-10-12-8-13(20-2)9-16(12)15(18)17-14(21-17)11-6-4-3-5-7-11/h3-7,12-14H,8-10H2,1-2H3/t12-,13-,14?,17?/m0/s1
InChIKeyYUKVEIBTPUDKPQ-YRFCHQJDSA-N
XLogP1.79
TPSA54.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 128984337
(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidine-1-carboxamide
CID 167729627
[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-(4-methoxyphenyl)methanone
CID 128984328
[2-(fluoromethyl)pyrrolidin-1-yl]-(3-phenyloxaziridin-2-yl)methanone
CID 169211455
1-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-2-(5-phenyltetrazol-2-yl)ethanone
CID 128990331
1-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 155238412
(2S,4R)-1-(benzenesulfonyl)-4-methoxy-2-(methoxymethyl)pyrrolidine
CID 128975294
2-[2-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-3,4-dihydroisoquinolin-1-one
CID 128983117
(5-bromo-2-pyridinyl)-[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 128984373
(5-bromo-2-pyridinyl)-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 128982509
(4-methoxy-3,5-dimethylphenyl)-[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 128984379
1-[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 154740365

Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-(3-phenyloxaziridin-2-yl)methanone?
The IUPAC name of [(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-(3-phenyloxaziridin-2-yl)methanone (CID 176801950) is [(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-(3-phenyloxaziridin-2-yl)methanone.
What is the SMILES notation for [(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-(3-phenyloxaziridin-2-yl)methanone?
The canonical SMILES for [(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-(3-phenyloxaziridin-2-yl)methanone is COC[C@@H]1C[C@H](OC)CN1C(=O)N1OC1c1ccccc1.
What is the InChIKey of [(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-(3-phenyloxaziridin-2-yl)methanone?
The InChIKey is YUKVEIBTPUDKPQ-YRFCHQJDSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-19-10-12-8-13(20-2)9-16(12)15(18)17-14(21-17)11-6-4-3-5-7-11/h3-7,12-14H,8-10H2,1-2H3/t12-,13-,14?,17?/m0/s1.
What are the key properties of [(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-(3-phenyloxaziridin-2-yl)methanone?
[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-(3-phenyloxaziridin-2-yl)methanone has a molecular weight of 292.33 g/mol, XLogP of 1.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-(3-phenyloxaziridin-2-yl)methanone is sourced from PubChem (CID 176801950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).