(2R)-2-hydroxy-1-[(2R)-2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-phenylethanone

C15H21NO3 — CID 97330210

IUPAC(2R)-2-hydroxy-1-[(2R)-2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-phenylethanone
SMILESCC(C)(O)[C@H]1CCCN1C(=O)[C@H](O)c1ccccc1
InChIInChI=1S/C15H21NO3/c1-15(2,19)12-9-6-10-16(12)14(18)13(17)11-7-4-3-5-8-11/h3-5,7-8,12-13,17,19H,6,9-10H2,1-2H3/t12-,13-/m1/s1
InChIKeyUTRBJCAHGCZXTB-CHWSQXEVSA-N
MW263.34 g/mol
LogP1.48
Rot. Bonds3

About (2R)-2-hydroxy-1-[(2R)-2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-phenylethanone

(2R)-2-hydroxy-1-[(2R)-2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-phenylethanone (PubChem CID 97330210) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is (2R)-2-hydroxy-1-[(2R)-2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-phenylethanone.

Molecular Properties

Compound Name(2R)-2-hydroxy-1-[(2R)-2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-phenylethanone
PubChem CID97330210
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name(2R)-2-hydroxy-1-[(2R)-2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-phenylethanone
SMILESCC(C)(O)[C@H]1CCCN1C(=O)[C@H](O)c1ccccc1
InChIInChI=1S/C15H21NO3/c1-15(2,19)12-9-6-10-16(12)14(18)13(17)11-7-4-3-5-8-11/h3-5,7-8,12-13,17,19H,6,9-10H2,1-2H3/t12-,13-/m1/s1
InChIKeyUTRBJCAHGCZXTB-CHWSQXEVSA-N
XLogP1.48
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-(2-methylphenyl)sulfanylethanone
CID 75431165
(E)-1-[2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-3-phenylprop-2-en-1-one
CID 13430534
2-(2-hydroxypropan-2-yl)-N-(1-phenylpiperidin-4-yl)pyrrolidine-1-carboxamide
CID 75505537
(2S)-1-[(2R)-2-phenylpropanoyl]pyrrolidine-2-carboxylic acid
CID 10060528
(2-fluorophenyl) 2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxylate
CID 175350833
(2-chlorophenyl) 2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxylate
CID 175094409
N-(2,2-dimethyl-1-phenylpropyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111427938
2-hydroxy-1-(3-methylmorpholin-4-yl)-2-phenylethanone
CID 111432313
1-[2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 3615185
(2S)-2-hydroxy-2-phenyl-1-piperidin-1-ylethanone
CID 11257941
(2R)-2-hydroxy-2-phenyl-1-piperidin-1-ylethanone
CID 25233871
2-hydroxy-1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-phenylethanone
CID 111539102

Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-1-[(2R)-2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-phenylethanone?
The IUPAC name of (2R)-2-hydroxy-1-[(2R)-2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-phenylethanone (CID 97330210) is (2R)-2-hydroxy-1-[(2R)-2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-phenylethanone.
What is the SMILES notation for (2R)-2-hydroxy-1-[(2R)-2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-phenylethanone?
The canonical SMILES for (2R)-2-hydroxy-1-[(2R)-2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-phenylethanone is CC(C)(O)[C@H]1CCCN1C(=O)[C@H](O)c1ccccc1.
What is the InChIKey of (2R)-2-hydroxy-1-[(2R)-2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-phenylethanone?
The InChIKey is UTRBJCAHGCZXTB-CHWSQXEVSA-N. The full InChI is InChI=1S/C15H21NO3/c1-15(2,19)12-9-6-10-16(12)14(18)13(17)11-7-4-3-5-8-11/h3-5,7-8,12-13,17,19H,6,9-10H2,1-2H3/t12-,13-/m1/s1.
What are the key properties of (2R)-2-hydroxy-1-[(2R)-2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-phenylethanone?
(2R)-2-hydroxy-1-[(2R)-2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-phenylethanone has a molecular weight of 263.34 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-1-[(2R)-2-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-phenylethanone is sourced from PubChem (CID 97330210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).