(2S,3S)-2-benzyl-3-hydroxypyrrolidine-1-carboxamide

C12H16N2O2 — CID 97470441

IUPAC(2S,3S)-2-benzyl-3-hydroxypyrrolidine-1-carboxamide
SMILESNC(=O)N1CC[C@H](O)[C@@H]1Cc1ccccc1
InChIInChI=1S/C12H16N2O2/c13-12(16)14-7-6-11(15)10(14)8-9-4-2-1-3-5-9/h1-5,10-11,15H,6-8H2,(H2,13,16)/t10-,11-/m0/s1
InChIKeyWQZPZTRBEJUOIM-QWRGUYRKSA-N
MW220.27 g/mol
LogP0.74
Rot. Bonds2

About (2S,3S)-2-benzyl-3-hydroxypyrrolidine-1-carboxamide

(2S,3S)-2-benzyl-3-hydroxypyrrolidine-1-carboxamide (PubChem CID 97470441) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is (2S,3S)-2-benzyl-3-hydroxypyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S,3S)-2-benzyl-3-hydroxypyrrolidine-1-carboxamide
PubChem CID97470441
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name(2S,3S)-2-benzyl-3-hydroxypyrrolidine-1-carboxamide
SMILESNC(=O)N1CC[C@H](O)[C@@H]1Cc1ccccc1
InChIInChI=1S/C12H16N2O2/c13-12(16)14-7-6-11(15)10(14)8-9-4-2-1-3-5-9/h1-5,10-11,15H,6-8H2,(H2,13,16)/t10-,11-/m0/s1
InChIKeyWQZPZTRBEJUOIM-QWRGUYRKSA-N
XLogP0.74
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-benzyl-3-hydroxypyrrolidine-1-carboxamide?
The IUPAC name of (2S,3S)-2-benzyl-3-hydroxypyrrolidine-1-carboxamide (CID 97470441) is (2S,3S)-2-benzyl-3-hydroxypyrrolidine-1-carboxamide.
What is the SMILES notation for (2S,3S)-2-benzyl-3-hydroxypyrrolidine-1-carboxamide?
The canonical SMILES for (2S,3S)-2-benzyl-3-hydroxypyrrolidine-1-carboxamide is NC(=O)N1CC[C@H](O)[C@@H]1Cc1ccccc1.
What is the InChIKey of (2S,3S)-2-benzyl-3-hydroxypyrrolidine-1-carboxamide?
The InChIKey is WQZPZTRBEJUOIM-QWRGUYRKSA-N. The full InChI is InChI=1S/C12H16N2O2/c13-12(16)14-7-6-11(15)10(14)8-9-4-2-1-3-5-9/h1-5,10-11,15H,6-8H2,(H2,13,16)/t10-,11-/m0/s1.
What are the key properties of (2S,3S)-2-benzyl-3-hydroxypyrrolidine-1-carboxamide?
(2S,3S)-2-benzyl-3-hydroxypyrrolidine-1-carboxamide has a molecular weight of 220.27 g/mol, XLogP of 0.74, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-benzyl-3-hydroxypyrrolidine-1-carboxamide is sourced from PubChem (CID 97470441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).