(2S,3R)-2-benzyl-1-(2-methoxyethyl)pyrrolidin-3-ol

C14H21NO2 — CID 97470104

IUPAC(2S,3R)-2-benzyl-1-(2-methoxyethyl)pyrrolidin-3-ol
SMILESCOCCN1CC[C@@H](O)[C@@H]1Cc1ccccc1
InChIInChI=1S/C14H21NO2/c1-17-10-9-15-8-7-14(16)13(15)11-12-5-3-2-4-6-12/h2-6,13-14,16H,7-11H2,1H3/t13-,14+/m0/s1
InChIKeyHJFFKKKKYSNFMV-UONOGXRCSA-N
MW235.33 g/mol
LogP1.31
Rot. Bonds5

About (2S,3R)-2-benzyl-1-(2-methoxyethyl)pyrrolidin-3-ol

(2S,3R)-2-benzyl-1-(2-methoxyethyl)pyrrolidin-3-ol (PubChem CID 97470104) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is (2S,3R)-2-benzyl-1-(2-methoxyethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(2S,3R)-2-benzyl-1-(2-methoxyethyl)pyrrolidin-3-ol
PubChem CID97470104
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name(2S,3R)-2-benzyl-1-(2-methoxyethyl)pyrrolidin-3-ol
SMILESCOCCN1CC[C@@H](O)[C@@H]1Cc1ccccc1
InChIInChI=1S/C14H21NO2/c1-17-10-9-15-8-7-14(16)13(15)11-12-5-3-2-4-6-12/h2-6,13-14,16H,7-11H2,1H3/t13-,14+/m0/s1
InChIKeyHJFFKKKKYSNFMV-UONOGXRCSA-N
XLogP1.31
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-benzyl-1-(2-methoxyethyl)pyrrolidin-3-ol?
The IUPAC name of (2S,3R)-2-benzyl-1-(2-methoxyethyl)pyrrolidin-3-ol (CID 97470104) is (2S,3R)-2-benzyl-1-(2-methoxyethyl)pyrrolidin-3-ol.
What is the SMILES notation for (2S,3R)-2-benzyl-1-(2-methoxyethyl)pyrrolidin-3-ol?
The canonical SMILES for (2S,3R)-2-benzyl-1-(2-methoxyethyl)pyrrolidin-3-ol is COCCN1CC[C@@H](O)[C@@H]1Cc1ccccc1.
What is the InChIKey of (2S,3R)-2-benzyl-1-(2-methoxyethyl)pyrrolidin-3-ol?
The InChIKey is HJFFKKKKYSNFMV-UONOGXRCSA-N. The full InChI is InChI=1S/C14H21NO2/c1-17-10-9-15-8-7-14(16)13(15)11-12-5-3-2-4-6-12/h2-6,13-14,16H,7-11H2,1H3/t13-,14+/m0/s1.
What are the key properties of (2S,3R)-2-benzyl-1-(2-methoxyethyl)pyrrolidin-3-ol?
(2S,3R)-2-benzyl-1-(2-methoxyethyl)pyrrolidin-3-ol has a molecular weight of 235.33 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-benzyl-1-(2-methoxyethyl)pyrrolidin-3-ol is sourced from PubChem (CID 97470104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).