(2S)-N-(2,4,4-trimethylpentan-2-yl)oxolane-2-carboxamide

C13H25NO2 — CID 2169098

IUPAC(2S)-N-(2,4,4-trimethylpentan-2-yl)oxolane-2-carboxamide
SMILESCC(C)(C)CC(C)(C)NC(=O)[C@@H]1CCCO1
InChIInChI=1S/C13H25NO2/c1-12(2,3)9-13(4,5)14-11(15)10-7-6-8-16-10/h10H,6-9H2,1-5H3,(H,14,15)/t10-/m0/s1
InChIKeySDVPMMHTAVLHMG-JTQLQIEISA-N
MW227.35 g/mol
LogP2.50
Rot. Bonds3

About (2S)-N-(2,4,4-trimethylpentan-2-yl)oxolane-2-carboxamide

(2S)-N-(2,4,4-trimethylpentan-2-yl)oxolane-2-carboxamide (PubChem CID 2169098) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is (2S)-N-(2,4,4-trimethylpentan-2-yl)oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(2,4,4-trimethylpentan-2-yl)oxolane-2-carboxamide
PubChem CID2169098
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name(2S)-N-(2,4,4-trimethylpentan-2-yl)oxolane-2-carboxamide
SMILESCC(C)(C)CC(C)(C)NC(=O)[C@@H]1CCCO1
InChIInChI=1S/C13H25NO2/c1-12(2,3)9-13(4,5)14-11(15)10-7-6-8-16-10/h10H,6-9H2,1-5H3,(H,14,15)/t10-/m0/s1
InChIKeySDVPMMHTAVLHMG-JTQLQIEISA-N
XLogP2.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2,4,4-trimethylpentan-2-yl)oxolane-2-carboxamide?
The IUPAC name of (2S)-N-(2,4,4-trimethylpentan-2-yl)oxolane-2-carboxamide (CID 2169098) is (2S)-N-(2,4,4-trimethylpentan-2-yl)oxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-(2,4,4-trimethylpentan-2-yl)oxolane-2-carboxamide?
The canonical SMILES for (2S)-N-(2,4,4-trimethylpentan-2-yl)oxolane-2-carboxamide is CC(C)(C)CC(C)(C)NC(=O)[C@@H]1CCCO1.
What is the InChIKey of (2S)-N-(2,4,4-trimethylpentan-2-yl)oxolane-2-carboxamide?
The InChIKey is SDVPMMHTAVLHMG-JTQLQIEISA-N. The full InChI is InChI=1S/C13H25NO2/c1-12(2,3)9-13(4,5)14-11(15)10-7-6-8-16-10/h10H,6-9H2,1-5H3,(H,14,15)/t10-/m0/s1.
What are the key properties of (2S)-N-(2,4,4-trimethylpentan-2-yl)oxolane-2-carboxamide?
(2S)-N-(2,4,4-trimethylpentan-2-yl)oxolane-2-carboxamide has a molecular weight of 227.35 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2,4,4-trimethylpentan-2-yl)oxolane-2-carboxamide is sourced from PubChem (CID 2169098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).