(2R,3R)-N-(2,3-dihydro-1H-inden-5-ylmethyl)-2-(hydroxymethyl)-3-methylpyrrolidine-1-carboxamide

C17H24N2O2 — CID 100660405

IUPAC(2R,3R)-N-(2,3-dihydro-1H-inden-5-ylmethyl)-2-(hydroxymethyl)-3-methylpyrrolidine-1-carboxamide
SMILESC[C@@H]1CCN(C(=O)NCc2ccc3c(c2)CCC3)[C@H]1CO
InChIInChI=1S/C17H24N2O2/c1-12-7-8-19(16(12)11-20)17(21)18-10-13-5-6-14-3-2-4-15(14)9-13/h5-6,9,12,16,20H,2-4,7-8,10-11H2,1H3,(H,18,21)/t12-,16+/m1/s1
InChIKeyNSZCVQMBEPHKOK-WBMJQRKESA-N
MW288.39 g/mol
LogP2.09
Rot. Bonds3

About (2R,3R)-N-(2,3-dihydro-1H-inden-5-ylmethyl)-2-(hydroxymethyl)-3-methylpyrrolidine-1-carboxamide

(2R,3R)-N-(2,3-dihydro-1H-inden-5-ylmethyl)-2-(hydroxymethyl)-3-methylpyrrolidine-1-carboxamide (PubChem CID 100660405) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is (2R,3R)-N-(2,3-dihydro-1H-inden-5-ylmethyl)-2-(hydroxymethyl)-3-methylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R,3R)-N-(2,3-dihydro-1H-inden-5-ylmethyl)-2-(hydroxymethyl)-3-methylpyrrolidine-1-carboxamide
PubChem CID100660405
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name(2R,3R)-N-(2,3-dihydro-1H-inden-5-ylmethyl)-2-(hydroxymethyl)-3-methylpyrrolidine-1-carboxamide
SMILESC[C@@H]1CCN(C(=O)NCc2ccc3c(c2)CCC3)[C@H]1CO
InChIInChI=1S/C17H24N2O2/c1-12-7-8-19(16(12)11-20)17(21)18-10-13-5-6-14-3-2-4-15(14)9-13/h5-6,9,12,16,20H,2-4,7-8,10-11H2,1H3,(H,18,21)/t12-,16+/m1/s1
InChIKeyNSZCVQMBEPHKOK-WBMJQRKESA-N
XLogP2.09
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N-(2,3-dihydro-1H-inden-5-ylmethyl)-2-(hydroxymethyl)-3-methylpyrrolidine-1-carboxamide?
The IUPAC name of (2R,3R)-N-(2,3-dihydro-1H-inden-5-ylmethyl)-2-(hydroxymethyl)-3-methylpyrrolidine-1-carboxamide (CID 100660405) is (2R,3R)-N-(2,3-dihydro-1H-inden-5-ylmethyl)-2-(hydroxymethyl)-3-methylpyrrolidine-1-carboxamide.
What is the SMILES notation for (2R,3R)-N-(2,3-dihydro-1H-inden-5-ylmethyl)-2-(hydroxymethyl)-3-methylpyrrolidine-1-carboxamide?
The canonical SMILES for (2R,3R)-N-(2,3-dihydro-1H-inden-5-ylmethyl)-2-(hydroxymethyl)-3-methylpyrrolidine-1-carboxamide is C[C@@H]1CCN(C(=O)NCc2ccc3c(c2)CCC3)[C@H]1CO.
What is the InChIKey of (2R,3R)-N-(2,3-dihydro-1H-inden-5-ylmethyl)-2-(hydroxymethyl)-3-methylpyrrolidine-1-carboxamide?
The InChIKey is NSZCVQMBEPHKOK-WBMJQRKESA-N. The full InChI is InChI=1S/C17H24N2O2/c1-12-7-8-19(16(12)11-20)17(21)18-10-13-5-6-14-3-2-4-15(14)9-13/h5-6,9,12,16,20H,2-4,7-8,10-11H2,1H3,(H,18,21)/t12-,16+/m1/s1.
What are the key properties of (2R,3R)-N-(2,3-dihydro-1H-inden-5-ylmethyl)-2-(hydroxymethyl)-3-methylpyrrolidine-1-carboxamide?
(2R,3R)-N-(2,3-dihydro-1H-inden-5-ylmethyl)-2-(hydroxymethyl)-3-methylpyrrolidine-1-carboxamide has a molecular weight of 288.39 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N-(2,3-dihydro-1H-inden-5-ylmethyl)-2-(hydroxymethyl)-3-methylpyrrolidine-1-carboxamide is sourced from PubChem (CID 100660405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).