4-benzyl-1-[(2R)-2-(cyclopentylmethyl)-3-hydroxypropanoyl]pyrrolidin-2-one

C20H27NO3 — CID 141376309

IUPAC4-benzyl-1-[(2R)-2-(cyclopentylmethyl)-3-hydroxypropanoyl]pyrrolidin-2-one
SMILESO=C1CC(Cc2ccccc2)CN1C(=O)[C@@H](CO)CC1CCCC1
InChIInChI=1S/C20H27NO3/c22-14-18(11-16-8-4-5-9-16)20(24)21-13-17(12-19(21)23)10-15-6-2-1-3-7-15/h1-3,6-7,16-18,22H,4-5,8-14H2/t17?,18-/m1/s1
InChIKeyVOSFHLIRSNTHLZ-QRWMCTBCSA-N
MW329.44 g/mol
LogP2.79
Rot. Bonds6

About 4-benzyl-1-[(2R)-2-(cyclopentylmethyl)-3-hydroxypropanoyl]pyrrolidin-2-one

4-benzyl-1-[(2R)-2-(cyclopentylmethyl)-3-hydroxypropanoyl]pyrrolidin-2-one (PubChem CID 141376309) has the molecular formula C20H27NO3 and a molecular weight of 329.44 g/mol. Its IUPAC name is 4-benzyl-1-[(2R)-2-(cyclopentylmethyl)-3-hydroxypropanoyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-benzyl-1-[(2R)-2-(cyclopentylmethyl)-3-hydroxypropanoyl]pyrrolidin-2-one
PubChem CID141376309
Molecular FormulaC20H27NO3
Molecular Weight329.44 g/mol
Exact Mass329.20
IUPAC Name4-benzyl-1-[(2R)-2-(cyclopentylmethyl)-3-hydroxypropanoyl]pyrrolidin-2-one
SMILESO=C1CC(Cc2ccccc2)CN1C(=O)[C@@H](CO)CC1CCCC1
InChIInChI=1S/C20H27NO3/c22-14-18(11-16-8-4-5-9-16)20(24)21-13-17(12-19(21)23)10-15-6-2-1-3-7-15/h1-3,6-7,16-18,22H,4-5,8-14H2/t17?,18-/m1/s1
InChIKeyVOSFHLIRSNTHLZ-QRWMCTBCSA-N
XLogP2.79
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-[(3S,4S)-4-benzylpyrrolidin-3-yl]-2-(cyclopentylmethyl)-3-hydroxypropan-1-one
CID 141376310
cyclopentylmethylbenzene;formamide
CID 174870384
2-[(4S)-4-benzyl-2-oxopyrrolidin-1-yl]-N-(3-cyclopentylpropyl)-N-methylacetamide
CID 97273461
3-(cyclopentylmethyl)-4-oxo-4-phenylmethoxybutanoic acid
CID 20752878
6-benzylcyclodecan-1-one
CID 22319830
2-benzyl-3-cyclohexylpropan-1-ol
CID 66060213
(3S)-3-(cyclohexylmethyl)-4-oxo-4-phenylmethoxybutanoic acid
CID 59364557
1,3-dibenzylcyclooctane
CID 3045388
2-(cyclobutylmethyl)-3-hydroxypropanoic acid
CID 130150360
(4R)-4-benzyl-1-(5-fluoropentyl)pyrrolidin-2-one
CID 97273158
1-(4-benzylpiperidin-1-yl)-2-cyclopentylethanone
CID 127122886
N-[(2R)-2-(cyclopentylmethyl)-3-oxo-3-[2-(2-phenylacetyl)pyrazolidin-1-yl]propyl]-N-hydroxyformamide
CID 56683894

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-[(2R)-2-(cyclopentylmethyl)-3-hydroxypropanoyl]pyrrolidin-2-one?
The IUPAC name of 4-benzyl-1-[(2R)-2-(cyclopentylmethyl)-3-hydroxypropanoyl]pyrrolidin-2-one (CID 141376309) is 4-benzyl-1-[(2R)-2-(cyclopentylmethyl)-3-hydroxypropanoyl]pyrrolidin-2-one.
What is the SMILES notation for 4-benzyl-1-[(2R)-2-(cyclopentylmethyl)-3-hydroxypropanoyl]pyrrolidin-2-one?
The canonical SMILES for 4-benzyl-1-[(2R)-2-(cyclopentylmethyl)-3-hydroxypropanoyl]pyrrolidin-2-one is O=C1CC(Cc2ccccc2)CN1C(=O)[C@@H](CO)CC1CCCC1.
What is the InChIKey of 4-benzyl-1-[(2R)-2-(cyclopentylmethyl)-3-hydroxypropanoyl]pyrrolidin-2-one?
The InChIKey is VOSFHLIRSNTHLZ-QRWMCTBCSA-N. The full InChI is InChI=1S/C20H27NO3/c22-14-18(11-16-8-4-5-9-16)20(24)21-13-17(12-19(21)23)10-15-6-2-1-3-7-15/h1-3,6-7,16-18,22H,4-5,8-14H2/t17?,18-/m1/s1.
What are the key properties of 4-benzyl-1-[(2R)-2-(cyclopentylmethyl)-3-hydroxypropanoyl]pyrrolidin-2-one?
4-benzyl-1-[(2R)-2-(cyclopentylmethyl)-3-hydroxypropanoyl]pyrrolidin-2-one has a molecular weight of 329.44 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-[(2R)-2-(cyclopentylmethyl)-3-hydroxypropanoyl]pyrrolidin-2-one is sourced from PubChem (CID 141376309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).