(2R)-1-[(3S,4S)-4-benzylpyrrolidin-3-yl]-2-(cyclopentylmethyl)-3-hydroxypropan-1-one

C20H29NO2 — CID 141376310

IUPAC(2R)-1-[(3S,4S)-4-benzylpyrrolidin-3-yl]-2-(cyclopentylmethyl)-3-hydroxypropan-1-one
SMILESO=C([C@@H](CO)CC1CCCC1)[C@@H]1CNC[C@H]1Cc1ccccc1
InChIInChI=1S/C20H29NO2/c22-14-18(11-16-8-4-5-9-16)20(23)19-13-21-12-17(19)10-15-6-2-1-3-7-15/h1-3,6-7,16-19,21-22H,4-5,8-14H2/t17-,18-,19-/m1/s1
InChIKeyHIDCZSTYTJJXGJ-GUDVDZBRSA-N
MW315.46 g/mol
LogP2.82
Rot. Bonds7

About (2R)-1-[(3S,4S)-4-benzylpyrrolidin-3-yl]-2-(cyclopentylmethyl)-3-hydroxypropan-1-one

(2R)-1-[(3S,4S)-4-benzylpyrrolidin-3-yl]-2-(cyclopentylmethyl)-3-hydroxypropan-1-one (PubChem CID 141376310) has the molecular formula C20H29NO2 and a molecular weight of 315.46 g/mol. Its IUPAC name is (2R)-1-[(3S,4S)-4-benzylpyrrolidin-3-yl]-2-(cyclopentylmethyl)-3-hydroxypropan-1-one.

Molecular Properties

Compound Name(2R)-1-[(3S,4S)-4-benzylpyrrolidin-3-yl]-2-(cyclopentylmethyl)-3-hydroxypropan-1-one
PubChem CID141376310
Molecular FormulaC20H29NO2
Molecular Weight315.46 g/mol
Exact Mass315.22
IUPAC Name(2R)-1-[(3S,4S)-4-benzylpyrrolidin-3-yl]-2-(cyclopentylmethyl)-3-hydroxypropan-1-one
SMILESO=C([C@@H](CO)CC1CCCC1)[C@@H]1CNC[C@H]1Cc1ccccc1
InChIInChI=1S/C20H29NO2/c22-14-18(11-16-8-4-5-9-16)20(23)19-13-21-12-17(19)10-15-6-2-1-3-7-15/h1-3,6-7,16-19,21-22H,4-5,8-14H2/t17-,18-,19-/m1/s1
InChIKeyHIDCZSTYTJJXGJ-GUDVDZBRSA-N
XLogP2.82
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,4R)-4-benzyl-N,N-diphenylpyrrolidine-3-carboxamide
CID 70849292
4-benzyl-1-[(2R)-2-(cyclopentylmethyl)-3-hydroxypropanoyl]pyrrolidin-2-one
CID 141376309
(3R)-4-benzyl-3-[(2R)-3-cyclohexyl-2-methylpropanoyl]pyrrolidin-2-one
CID 156788005
4-[(4-methylphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 84684805
cis-(1R,2S)-2-benzylcyclohexane-1-carboxylic acid
CID 71363465
2-(cyclohexylmethyl)-4-(furan-2-yl)-4-oxobutanoic acid
CID 19378608
3-(cyclopentylmethyl)-4-oxo-4-phenylmethoxybutanoic acid
CID 20752878
2-bromo-3-cyclopentyl-1-phenylpropan-1-one
CID 11808108
(3R,4R)-4-(2-phenylethyl)pyrrolidine-3-carboxylic acid
CID 57367804
2-benzyl-3-cyclohexylpropan-1-ol
CID 66060213
(3S)-3-(cyclohexylmethyl)-4-oxo-4-phenylmethoxybutanoic acid
CID 59364557
cyclopentylmethylbenzene;formamide
CID 174870384

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(3S,4S)-4-benzylpyrrolidin-3-yl]-2-(cyclopentylmethyl)-3-hydroxypropan-1-one?
The IUPAC name of (2R)-1-[(3S,4S)-4-benzylpyrrolidin-3-yl]-2-(cyclopentylmethyl)-3-hydroxypropan-1-one (CID 141376310) is (2R)-1-[(3S,4S)-4-benzylpyrrolidin-3-yl]-2-(cyclopentylmethyl)-3-hydroxypropan-1-one.
What is the SMILES notation for (2R)-1-[(3S,4S)-4-benzylpyrrolidin-3-yl]-2-(cyclopentylmethyl)-3-hydroxypropan-1-one?
The canonical SMILES for (2R)-1-[(3S,4S)-4-benzylpyrrolidin-3-yl]-2-(cyclopentylmethyl)-3-hydroxypropan-1-one is O=C([C@@H](CO)CC1CCCC1)[C@@H]1CNC[C@H]1Cc1ccccc1.
What is the InChIKey of (2R)-1-[(3S,4S)-4-benzylpyrrolidin-3-yl]-2-(cyclopentylmethyl)-3-hydroxypropan-1-one?
The InChIKey is HIDCZSTYTJJXGJ-GUDVDZBRSA-N. The full InChI is InChI=1S/C20H29NO2/c22-14-18(11-16-8-4-5-9-16)20(23)19-13-21-12-17(19)10-15-6-2-1-3-7-15/h1-3,6-7,16-19,21-22H,4-5,8-14H2/t17-,18-,19-/m1/s1.
What are the key properties of (2R)-1-[(3S,4S)-4-benzylpyrrolidin-3-yl]-2-(cyclopentylmethyl)-3-hydroxypropan-1-one?
(2R)-1-[(3S,4S)-4-benzylpyrrolidin-3-yl]-2-(cyclopentylmethyl)-3-hydroxypropan-1-one has a molecular weight of 315.46 g/mol, XLogP of 2.82, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(3S,4S)-4-benzylpyrrolidin-3-yl]-2-(cyclopentylmethyl)-3-hydroxypropan-1-one is sourced from PubChem (CID 141376310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).