(2S)-2-hydroxy-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylpropan-1-one

C15H21NO3 — CID 12714098

IUPAC(2S)-2-hydroxy-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylpropan-1-one
SMILESCOC[C@@H]1CCCN1C(=O)[C@@](C)(O)c1ccccc1
InChIInChI=1S/C15H21NO3/c1-15(18,12-7-4-3-5-8-12)14(17)16-10-6-9-13(16)11-19-2/h3-5,7-8,13,18H,6,9-11H2,1-2H3/t13-,15-/m0/s1
InChIKeyLIXBGAWHNJWOKX-ZFWWWQNUSA-N
MW263.34 g/mol
LogP1.53
Rot. Bonds4

About (2S)-2-hydroxy-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylpropan-1-one

(2S)-2-hydroxy-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylpropan-1-one (PubChem CID 12714098) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is (2S)-2-hydroxy-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylpropan-1-one.

Molecular Properties

Compound Name(2S)-2-hydroxy-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylpropan-1-one
PubChem CID12714098
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name(2S)-2-hydroxy-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylpropan-1-one
SMILESCOC[C@@H]1CCCN1C(=O)[C@@](C)(O)c1ccccc1
InChIInChI=1S/C15H21NO3/c1-15(18,12-7-4-3-5-8-12)14(17)16-10-6-9-13(16)11-19-2/h3-5,7-8,13,18H,6,9-11H2,1-2H3/t13-,15-/m0/s1
InChIKeyLIXBGAWHNJWOKX-ZFWWWQNUSA-N
XLogP1.53
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Poldine
CID 11018
N-((1-Ethyl-2-pyrrolidinyl)methyl)-alpha-hydroxy-alpha-phenylbenzeneacetamide
CID 68862
(+/-)-Clausenamide
CID 5315946
Pyrrolidinium, 2-(((2-cyclohexyl-2-hydroxy-2-phenylacetyl)oxy)methyl)-1,1-dimethyl-, bromide (1:1)
CID 71507
(4-Hydroxy-4-phenyl-piperidin-1-yl)-(tetrahydro-furan-2-yl)-methanone
CID 644736
[1-(2,2-Dimethylpropanoyl)-2-pyrrolidinyl](diphenyl)methanol
CID 6544420
2-[2-(Hydroxymethyl)-1-pyrrolidinyl]-2-oxo-1-phenylethanol
CID 10900597
3-Hydroxy-1-methyl-3-phenyl-2-piperidinone
CID 135950
(+)Clausenamide
CID 128412
L-Clausenamide
CID 9904294
(-)-Cis-Clausenamide
CID 10125525
(+)-Epi-Neoclausenamide
CID 10149518

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylpropan-1-one?
The IUPAC name of (2S)-2-hydroxy-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylpropan-1-one (CID 12714098) is (2S)-2-hydroxy-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylpropan-1-one.
What is the SMILES notation for (2S)-2-hydroxy-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylpropan-1-one?
The canonical SMILES for (2S)-2-hydroxy-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylpropan-1-one is COC[C@@H]1CCCN1C(=O)[C@@](C)(O)c1ccccc1.
What is the InChIKey of (2S)-2-hydroxy-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylpropan-1-one?
The InChIKey is LIXBGAWHNJWOKX-ZFWWWQNUSA-N. The full InChI is InChI=1S/C15H21NO3/c1-15(18,12-7-4-3-5-8-12)14(17)16-10-6-9-13(16)11-19-2/h3-5,7-8,13,18H,6,9-11H2,1-2H3/t13-,15-/m0/s1.
What are the key properties of (2S)-2-hydroxy-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylpropan-1-one?
(2S)-2-hydroxy-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylpropan-1-one has a molecular weight of 263.34 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylpropan-1-one is sourced from PubChem (CID 12714098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).