(2S)-N-tert-butyl-2-(hydroxymethyl)pyrrolidine-1-carboxamide

C10H20N2O2 — CID 79028549

IUPAC(2S)-N-tert-butyl-2-(hydroxymethyl)pyrrolidine-1-carboxamide
SMILESCC(C)(C)NC(=O)N1CCC[C@H]1CO
InChIInChI=1S/C10H20N2O2/c1-10(2,3)11-9(14)12-6-4-5-8(12)7-13/h8,13H,4-7H2,1-3H3,(H,11,14)/t8-/m0/s1
InChIKeyWNSXOZFIAAZWNC-QMMMGPOBSA-N
MW200.28 g/mol
LogP0.95
Rot. Bonds1

About (2S)-N-tert-butyl-2-(hydroxymethyl)pyrrolidine-1-carboxamide

(2S)-N-tert-butyl-2-(hydroxymethyl)pyrrolidine-1-carboxamide (PubChem CID 79028549) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is (2S)-N-tert-butyl-2-(hydroxymethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-tert-butyl-2-(hydroxymethyl)pyrrolidine-1-carboxamide
PubChem CID79028549
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name(2S)-N-tert-butyl-2-(hydroxymethyl)pyrrolidine-1-carboxamide
SMILESCC(C)(C)NC(=O)N1CCC[C@H]1CO
InChIInChI=1S/C10H20N2O2/c1-10(2,3)11-9(14)12-6-4-5-8(12)7-13/h8,13H,4-7H2,1-3H3,(H,11,14)/t8-/m0/s1
InChIKeyWNSXOZFIAAZWNC-QMMMGPOBSA-N
XLogP0.95
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-tert-butyl-2-(hydroxymethyl)pyrrolidine-1-carboxamide?
The IUPAC name of (2S)-N-tert-butyl-2-(hydroxymethyl)pyrrolidine-1-carboxamide (CID 79028549) is (2S)-N-tert-butyl-2-(hydroxymethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-N-tert-butyl-2-(hydroxymethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-N-tert-butyl-2-(hydroxymethyl)pyrrolidine-1-carboxamide is CC(C)(C)NC(=O)N1CCC[C@H]1CO.
What is the InChIKey of (2S)-N-tert-butyl-2-(hydroxymethyl)pyrrolidine-1-carboxamide?
The InChIKey is WNSXOZFIAAZWNC-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-10(2,3)11-9(14)12-6-4-5-8(12)7-13/h8,13H,4-7H2,1-3H3,(H,11,14)/t8-/m0/s1.
What are the key properties of (2S)-N-tert-butyl-2-(hydroxymethyl)pyrrolidine-1-carboxamide?
(2S)-N-tert-butyl-2-(hydroxymethyl)pyrrolidine-1-carboxamide has a molecular weight of 200.28 g/mol, XLogP of 0.95, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-tert-butyl-2-(hydroxymethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 79028549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).