(2R)-2-amino-1-[(2S)-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidin-1-yl]propan-1-one

C15H22N2O2 — CID 125118441

IUPAC(2R)-2-amino-1-[(2S)-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidin-1-yl]propan-1-one
SMILESC[C@@H](N)C(=O)N1CCC[C@H]1C[C@@H](O)c1ccccc1
InChIInChI=1S/C15H22N2O2/c1-11(16)15(19)17-9-5-8-13(17)10-14(18)12-6-3-2-4-7-12/h2-4,6-7,11,13-14,18H,5,8-10,16H2,1H3/t11-,13+,14-/m1/s1
InChIKeyWQYINDSPEMMTEK-KWCYVHTRSA-N
MW262.35 g/mol
LogP1.45
Rot. Bonds4

About (2R)-2-amino-1-[(2S)-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidin-1-yl]propan-1-one

(2R)-2-amino-1-[(2S)-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidin-1-yl]propan-1-one (PubChem CID 125118441) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is (2R)-2-amino-1-[(2S)-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-1-[(2S)-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidin-1-yl]propan-1-one
PubChem CID125118441
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name(2R)-2-amino-1-[(2S)-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidin-1-yl]propan-1-one
SMILESC[C@@H](N)C(=O)N1CCC[C@H]1C[C@@H](O)c1ccccc1
InChIInChI=1S/C15H22N2O2/c1-11(16)15(19)17-9-5-8-13(17)10-14(18)12-6-3-2-4-7-12/h2-4,6-7,11,13-14,18H,5,8-10,16H2,1H3/t11-,13+,14-/m1/s1
InChIKeyWQYINDSPEMMTEK-KWCYVHTRSA-N
XLogP1.45
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-2-amino-1-[(2S)-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidin-1-yl]propan-1-one with MolForge

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Related Compounds

1-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]-2-methyl-3-phenylpropan-1-one
CID 111472238
3-amino-1-[(2R)-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidin-1-yl]propan-1-one
CID 125134386
ethyl (2S)-2-[(2S)-2-hydroxy-2-phenylethyl]piperidine-1-carboxylate
CID 11087069
2-(2-hydroxy-2-phenylethyl)-N-(2-methylphenyl)pyrrolidine-1-carboxamide
CID 111578773
(2S)-2-amino-1-[2-(2-phenylethyl)pyrrolidin-1-yl]propan-1-one;hydrochloride
CID 119288459
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]propan-1-one
CID 111472406
(4,4-difluorocyclohexyl)-[(2R)-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidin-1-yl]methanone
CID 124880408
1,3-dithiolan-2-yl-[(2R)-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidin-1-yl]methanone
CID 124742146
2-(1-hydroxycyclohexyl)-1-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]ethanone
CID 111540770
[4-(aminomethyl)phenyl]-[(2R)-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidin-1-yl]methanone
CID 125134428
3-[(2S)-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidine-1-carbonyl]benzoic acid
CID 129415441
[(2R)-2-[(2S)-2-hydroxy-2-phenylethyl]pyrrolidin-1-yl]-(1-methylsulfonylcyclopropyl)methanone
CID 124734590

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-[(2S)-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidin-1-yl]propan-1-one?
The IUPAC name of (2R)-2-amino-1-[(2S)-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidin-1-yl]propan-1-one (CID 125118441) is (2R)-2-amino-1-[(2S)-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for (2R)-2-amino-1-[(2S)-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for (2R)-2-amino-1-[(2S)-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidin-1-yl]propan-1-one is C[C@@H](N)C(=O)N1CCC[C@H]1C[C@@H](O)c1ccccc1.
What is the InChIKey of (2R)-2-amino-1-[(2S)-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidin-1-yl]propan-1-one?
The InChIKey is WQYINDSPEMMTEK-KWCYVHTRSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11(16)15(19)17-9-5-8-13(17)10-14(18)12-6-3-2-4-7-12/h2-4,6-7,11,13-14,18H,5,8-10,16H2,1H3/t11-,13+,14-/m1/s1.
What are the key properties of (2R)-2-amino-1-[(2S)-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidin-1-yl]propan-1-one?
(2R)-2-amino-1-[(2S)-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidin-1-yl]propan-1-one has a molecular weight of 262.35 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-[(2S)-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 125118441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).