(2S,3S,5R)-2-benzyl-5-nonylpyrrolidin-3-ol

C20H33NO — CID 10780776

IUPAC(2S,3S,5R)-2-benzyl-5-nonylpyrrolidin-3-ol
SMILESCCCCCCCCC[C@@H]1C[C@H](O)[C@H](Cc2ccccc2)N1
InChIInChI=1S/C20H33NO/c1-2-3-4-5-6-7-11-14-18-16-20(22)19(21-18)15-17-12-9-8-10-13-17/h8-10,12-13,18-22H,2-7,11,14-16H2,1H3/t18-,19+,20+/m1/s1
InChIKeyXLKWRWSHETWXQX-AABGKKOBSA-N
MW303.49 g/mol
LogP4.46
Rot. Bonds10

About (2S,3S,5R)-2-benzyl-5-nonylpyrrolidin-3-ol

(2S,3S,5R)-2-benzyl-5-nonylpyrrolidin-3-ol (PubChem CID 10780776) has the molecular formula C20H33NO and a molecular weight of 303.49 g/mol. Its IUPAC name is (2S,3S,5R)-2-benzyl-5-nonylpyrrolidin-3-ol.

Molecular Properties

Compound Name(2S,3S,5R)-2-benzyl-5-nonylpyrrolidin-3-ol
PubChem CID10780776
Molecular FormulaC20H33NO
Molecular Weight303.49 g/mol
Exact Mass303.26
IUPAC Name(2S,3S,5R)-2-benzyl-5-nonylpyrrolidin-3-ol
SMILESCCCCCCCCC[C@@H]1C[C@H](O)[C@H](Cc2ccccc2)N1
InChIInChI=1S/C20H33NO/c1-2-3-4-5-6-7-11-14-18-16-20(22)19(21-18)15-17-12-9-8-10-13-17/h8-10,12-13,18-22H,2-7,11,14-16H2,1H3/t18-,19+,20+/m1/s1
InChIKeyXLKWRWSHETWXQX-AABGKKOBSA-N
XLogP4.46
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.49
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2S,3S,5R)-2-benzyl-5-nonylpyrrolidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

alpha-(((1-Methylethyl)amino)methyl)benzenemethanol
CID 20119
H 29-50
CID 192962
2-Furanmethanamine, N-ethyltetrahydro-alpha-(phenylmethyl)-, (R-(R*,R*))-
CID 71129
D-threo-alpha-Benzyl-N-ethyltetrahydrofurfurylamine
CID 253826
RB-042 HCl
CID 72735621
2-(Isopropylamino)-1-(m-tolyl)ethan-1-ol
CID 59373811
Preussin I
CID 145964355
[(2R,3S,4S)-2-benzyl-4-hydroxypyrrolidin-3-yl] acetate
CID 6610309
(2R)-3-phenyl-2-(tetradecylamino)propan-1-ol;hydrochloride
CID 49797463
(1S,2R)-1-phenyl-2-(tetradecylamino)propan-1-ol;hydrochloride
CID 49797464
(2S,3S,4S,5S)-2-(hydroxymethyl)-5-(4-phenylbutyl)pyrrolidine-3,4-diol
CID 52939605
(1R,2S)-1-phenyl-2-(propan-2-ylamino)propan-1-ol
CID 13521312

Frequently Asked Questions

What is the IUPAC name of (2S,3S,5R)-2-benzyl-5-nonylpyrrolidin-3-ol?
The IUPAC name of (2S,3S,5R)-2-benzyl-5-nonylpyrrolidin-3-ol (CID 10780776) is (2S,3S,5R)-2-benzyl-5-nonylpyrrolidin-3-ol.
What is the SMILES notation for (2S,3S,5R)-2-benzyl-5-nonylpyrrolidin-3-ol?
The canonical SMILES for (2S,3S,5R)-2-benzyl-5-nonylpyrrolidin-3-ol is CCCCCCCCC[C@@H]1C[C@H](O)[C@H](Cc2ccccc2)N1.
What is the InChIKey of (2S,3S,5R)-2-benzyl-5-nonylpyrrolidin-3-ol?
The InChIKey is XLKWRWSHETWXQX-AABGKKOBSA-N. The full InChI is InChI=1S/C20H33NO/c1-2-3-4-5-6-7-11-14-18-16-20(22)19(21-18)15-17-12-9-8-10-13-17/h8-10,12-13,18-22H,2-7,11,14-16H2,1H3/t18-,19+,20+/m1/s1.
What are the key properties of (2S,3S,5R)-2-benzyl-5-nonylpyrrolidin-3-ol?
(2S,3S,5R)-2-benzyl-5-nonylpyrrolidin-3-ol has a molecular weight of 303.49 g/mol, XLogP of 4.46, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,5R)-2-benzyl-5-nonylpyrrolidin-3-ol is sourced from PubChem (CID 10780776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).