(2S,3R)-2-benzyl-N-cyclopropyl-3-hydroxypyrrolidine-1-carboxamide

C15H20N2O2 — CID 97408589

IUPAC(2S,3R)-2-benzyl-N-cyclopropyl-3-hydroxypyrrolidine-1-carboxamide
SMILESO=C(NC1CC1)N1CC[C@@H](O)[C@@H]1Cc1ccccc1
InChIInChI=1S/C15H20N2O2/c18-14-8-9-17(15(19)16-12-6-7-12)13(14)10-11-4-2-1-3-5-11/h1-5,12-14,18H,6-10H2,(H,16,19)/t13-,14+/m0/s1
InChIKeyKPLGAKINRSGLRD-UONOGXRCSA-N
MW260.34 g/mol
LogP1.54
Rot. Bonds3

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

(2S,3R)-2-benzyl-N-cyclopropyl-3-hydroxypyrrolidine-1-carboxamide (PubChem CID 97408589) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is (2S,3R)-2-benzyl-N-cyclopropyl-3-hydroxypyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S,3R)-2-benzyl-N-cyclopropyl-3-hydroxypyrrolidine-1-carboxamide
PubChem CID97408589
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name(2S,3R)-2-benzyl-N-cyclopropyl-3-hydroxypyrrolidine-1-carboxamide
SMILESO=C(NC1CC1)N1CC[C@@H](O)[C@@H]1Cc1ccccc1
InChIInChI=1S/C15H20N2O2/c18-14-8-9-17(15(19)16-12-6-7-12)13(14)10-11-4-2-1-3-5-11/h1-5,12-14,18H,6-10H2,(H,16,19)/t13-,14+/m0/s1
InChIKeyKPLGAKINRSGLRD-UONOGXRCSA-N
XLogP1.54
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-benzyl-N-cyclopropyl-3-hydroxypyrrolidine-1-carboxamide?
The IUPAC name of (2S,3R)-2-benzyl-N-cyclopropyl-3-hydroxypyrrolidine-1-carboxamide (CID 97408589) is (2S,3R)-2-benzyl-N-cyclopropyl-3-hydroxypyrrolidine-1-carboxamide.
What is the SMILES notation for (2S,3R)-2-benzyl-N-cyclopropyl-3-hydroxypyrrolidine-1-carboxamide?
The canonical SMILES for (2S,3R)-2-benzyl-N-cyclopropyl-3-hydroxypyrrolidine-1-carboxamide is O=C(NC1CC1)N1CC[C@@H](O)[C@@H]1Cc1ccccc1.
What is the InChIKey of (2S,3R)-2-benzyl-N-cyclopropyl-3-hydroxypyrrolidine-1-carboxamide?
The InChIKey is KPLGAKINRSGLRD-UONOGXRCSA-N. The full InChI is InChI=1S/C15H20N2O2/c18-14-8-9-17(15(19)16-12-6-7-12)13(14)10-11-4-2-1-3-5-11/h1-5,12-14,18H,6-10H2,(H,16,19)/t13-,14+/m0/s1.
What are the key properties of (2S,3R)-2-benzyl-N-cyclopropyl-3-hydroxypyrrolidine-1-carboxamide?
(2S,3R)-2-benzyl-N-cyclopropyl-3-hydroxypyrrolidine-1-carboxamide has a molecular weight of 260.34 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-benzyl-N-cyclopropyl-3-hydroxypyrrolidine-1-carboxamide is sourced from PubChem (CID 97408589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).