(2S)-N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-5-oxopyrrolidine-2-carboxamide

C14H24N2O3 — CID 129399832

IUPAC(2S)-N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-5-oxopyrrolidine-2-carboxamide
SMILESCC(C)(C)[C@H]1OCC[C@@H]1CNC(=O)[C@@H]1CCC(=O)N1
InChIInChI=1S/C14H24N2O3/c1-14(2,3)12-9(6-7-19-12)8-15-13(18)10-4-5-11(17)16-10/h9-10,12H,4-8H2,1-3H3,(H,15,18)(H,16,17)/t9-,10+,12+/m1/s1
InChIKeyNNERLBXHVXPKIV-SCVCMEIPSA-N
MW268.36 g/mol
LogP0.83
Rot. Bonds3

About (2S)-N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-5-oxopyrrolidine-2-carboxamide

(2S)-N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 129399832) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is (2S)-N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-5-oxopyrrolidine-2-carboxamide
PubChem CID129399832
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name(2S)-N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-5-oxopyrrolidine-2-carboxamide
SMILESCC(C)(C)[C@H]1OCC[C@@H]1CNC(=O)[C@@H]1CCC(=O)N1
InChIInChI=1S/C14H24N2O3/c1-14(2,3)12-9(6-7-19-12)8-15-13(18)10-4-5-11(17)16-10/h9-10,12H,4-8H2,1-3H3,(H,15,18)(H,16,17)/t9-,10+,12+/m1/s1
InChIKeyNNERLBXHVXPKIV-SCVCMEIPSA-N
XLogP0.83
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-5-oxopyrrolidine-2-carboxamide (CID 129399832) is (2S)-N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-5-oxopyrrolidine-2-carboxamide is CC(C)(C)[C@H]1OCC[C@@H]1CNC(=O)[C@@H]1CCC(=O)N1.
What is the InChIKey of (2S)-N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is NNERLBXHVXPKIV-SCVCMEIPSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-14(2,3)12-9(6-7-19-12)8-15-13(18)10-4-5-11(17)16-10/h9-10,12H,4-8H2,1-3H3,(H,15,18)(H,16,17)/t9-,10+,12+/m1/s1.
What are the key properties of (2S)-N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-5-oxopyrrolidine-2-carboxamide?
(2S)-N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 268.36 g/mol, XLogP of 0.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 129399832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).