[(2R)-oxolan-2-yl]-[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]methanone

C16H21NO3 — CID 96534714

IUPAC[(2R)-oxolan-2-yl]-[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]methanone
SMILESO=C([C@H]1CCCO1)N1CCC[C@H]1COc1ccccc1
InChIInChI=1S/C16H21NO3/c18-16(15-9-5-11-19-15)17-10-4-6-13(17)12-20-14-7-2-1-3-8-14/h1-3,7-8,13,15H,4-6,9-12H2/t13-,15+/m0/s1
InChIKeyMTIMATWJPZLMSM-DZGCQCFKSA-N
MW275.35 g/mol
LogP2.24
Rot. Bonds4

About [(2R)-oxolan-2-yl]-[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]methanone

[(2R)-oxolan-2-yl]-[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]methanone (PubChem CID 96534714) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is [(2R)-oxolan-2-yl]-[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[(2R)-oxolan-2-yl]-[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]methanone
PubChem CID96534714
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name[(2R)-oxolan-2-yl]-[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]methanone
SMILESO=C([C@H]1CCCO1)N1CCC[C@H]1COc1ccccc1
InChIInChI=1S/C16H21NO3/c18-16(15-9-5-11-19-15)17-10-4-6-13(17)12-20-14-7-2-1-3-8-14/h1-3,7-8,13,15H,4-6,9-12H2/t13-,15+/m0/s1
InChIKeyMTIMATWJPZLMSM-DZGCQCFKSA-N
XLogP2.24
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2R)-oxolan-2-yl]-[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of [(2R)-oxolan-2-yl]-[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]methanone (CID 96534714) is [(2R)-oxolan-2-yl]-[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [(2R)-oxolan-2-yl]-[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [(2R)-oxolan-2-yl]-[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]methanone is O=C([C@H]1CCCO1)N1CCC[C@H]1COc1ccccc1.
What is the InChIKey of [(2R)-oxolan-2-yl]-[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]methanone?
The InChIKey is MTIMATWJPZLMSM-DZGCQCFKSA-N. The full InChI is InChI=1S/C16H21NO3/c18-16(15-9-5-11-19-15)17-10-4-6-13(17)12-20-14-7-2-1-3-8-14/h1-3,7-8,13,15H,4-6,9-12H2/t13-,15+/m0/s1.
What are the key properties of [(2R)-oxolan-2-yl]-[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]methanone?
[(2R)-oxolan-2-yl]-[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]methanone has a molecular weight of 275.35 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-oxolan-2-yl]-[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 96534714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).