[(2S)-2-(1-hydroxy-2-phenoxyethyl)pyrrolidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone

C17H24N2O3 — CID 67771625

IUPAC[(2S)-2-(1-hydroxy-2-phenoxyethyl)pyrrolidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
SMILESO=C([C@H]1CCCN1)N1CCC[C@H]1C(O)COc1ccccc1
InChIInChI=1S/C17H24N2O3/c20-16(12-22-13-6-2-1-3-7-13)15-9-5-11-19(15)17(21)14-8-4-10-18-14/h1-3,6-7,14-16,18,20H,4-5,8-12H2/t14-,15+,16?/m1/s1
InChIKeyRHKHSDMPHZOYEY-YSPPHNQVSA-N
MW304.39 g/mol
LogP1.17
Rot. Bonds5

About [(2S)-2-(1-hydroxy-2-phenoxyethyl)pyrrolidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone

[(2S)-2-(1-hydroxy-2-phenoxyethyl)pyrrolidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone (PubChem CID 67771625) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is [(2S)-2-(1-hydroxy-2-phenoxyethyl)pyrrolidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone.

Molecular Properties

Compound Name[(2S)-2-(1-hydroxy-2-phenoxyethyl)pyrrolidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
PubChem CID67771625
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name[(2S)-2-(1-hydroxy-2-phenoxyethyl)pyrrolidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
SMILESO=C([C@H]1CCCN1)N1CCC[C@H]1C(O)COc1ccccc1
InChIInChI=1S/C17H24N2O3/c20-16(12-22-13-6-2-1-3-7-13)15-9-5-11-19(15)17(21)14-8-4-10-18-14/h1-3,6-7,14-16,18,20H,4-5,8-12H2/t14-,15+,16?/m1/s1
InChIKeyRHKHSDMPHZOYEY-YSPPHNQVSA-N
XLogP1.17
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(1-hydroxy-2-phenoxyethyl)pyrrolidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone?
The IUPAC name of [(2S)-2-(1-hydroxy-2-phenoxyethyl)pyrrolidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone (CID 67771625) is [(2S)-2-(1-hydroxy-2-phenoxyethyl)pyrrolidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone.
What is the SMILES notation for [(2S)-2-(1-hydroxy-2-phenoxyethyl)pyrrolidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone?
The canonical SMILES for [(2S)-2-(1-hydroxy-2-phenoxyethyl)pyrrolidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone is O=C([C@H]1CCCN1)N1CCC[C@H]1C(O)COc1ccccc1.
What is the InChIKey of [(2S)-2-(1-hydroxy-2-phenoxyethyl)pyrrolidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone?
The InChIKey is RHKHSDMPHZOYEY-YSPPHNQVSA-N. The full InChI is InChI=1S/C17H24N2O3/c20-16(12-22-13-6-2-1-3-7-13)15-9-5-11-19(15)17(21)14-8-4-10-18-14/h1-3,6-7,14-16,18,20H,4-5,8-12H2/t14-,15+,16?/m1/s1.
What are the key properties of [(2S)-2-(1-hydroxy-2-phenoxyethyl)pyrrolidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone?
[(2S)-2-(1-hydroxy-2-phenoxyethyl)pyrrolidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone has a molecular weight of 304.39 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(1-hydroxy-2-phenoxyethyl)pyrrolidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone is sourced from PubChem (CID 67771625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).