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

C15H21NO3 — CID 12714099

IUPAC(2R)-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-DZGCQCFKSA-N
MW263.34 g/mol
LogP1.53
Rot. Bonds4

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

(2R)-2-hydroxy-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylpropan-1-one (PubChem CID 12714099) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is (2R)-2-hydroxy-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylpropan-1-one.

Molecular Properties

Compound Name(2R)-2-hydroxy-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylpropan-1-one
PubChem CID12714099
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name(2R)-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-DZGCQCFKSA-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

tert-butyl (2S)-2-(methoxymethyl)pyrrolidine-1-carboxylate;ethane
CID 142306510
5-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]thiophene-2-carboxylic acid
CID 58714770
3-[2-(methoxymethyl)pyrrolidine-1-carbonyl]-2-methylbenzoic acid
CID 167888085
[4-(3-hydroxy-3-methylbutyl)phenyl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 56912025
ethane;1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethanone
CID 143652915
3-[(2S)-2-(methoxymethyl)pyrrolidine-1-carbonyl]-5-methylbenzoic acid
CID 141091395
2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-2-phenylpropan-1-one
CID 106586749
3-amino-1-[2-(methoxymethyl)pyrrolidin-1-yl]propan-1-one
CID 83624626
tert-butyl 2-[2-(methoxymethyl)pyrrolidine-1-carbonyl]pyrrole-1-carboxylate
CID 10957814
2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]benzoic acid
CID 129496688
tert-butyl 2-[(4-phenoxyphenoxy)methyl]pyrrolidine-1-carboxylate
CID 69003420
3-[(2S)-2-(methoxymethyl)pyrrolidine-1-carbonyl]-5-methylbenzoic acid;hydrochloride
CID 141091394

Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylpropan-1-one?
The IUPAC name of (2R)-2-hydroxy-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylpropan-1-one (CID 12714099) is (2R)-2-hydroxy-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylpropan-1-one.
What is the SMILES notation for (2R)-2-hydroxy-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylpropan-1-one?
The canonical SMILES for (2R)-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 (2R)-2-hydroxy-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylpropan-1-one?
The InChIKey is LIXBGAWHNJWOKX-DZGCQCFKSA-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 (2R)-2-hydroxy-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylpropan-1-one?
(2R)-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 (2R)-2-hydroxy-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylpropan-1-one is sourced from PubChem (CID 12714099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).