(2S)-N-tert-butyl-5-oxooxolane-2-carboxamide

C9H15NO3 — CID 58491673

IUPAC(2S)-N-tert-butyl-5-oxooxolane-2-carboxamide
SMILESCC(C)(C)NC(=O)[C@@H]1CCC(=O)O1
InChIInChI=1S/C9H15NO3/c1-9(2,3)10-8(12)6-4-5-7(11)13-6/h6H,4-5H2,1-3H3,(H,10,12)/t6-/m0/s1
InChIKeyTYHDUCRNGNRHAG-LURJTMIESA-N
MW185.22 g/mol
LogP0.61
Rot. Bonds1

About (2S)-N-tert-butyl-5-oxooxolane-2-carboxamide

(2S)-N-tert-butyl-5-oxooxolane-2-carboxamide (PubChem CID 58491673) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is (2S)-N-tert-butyl-5-oxooxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-tert-butyl-5-oxooxolane-2-carboxamide
PubChem CID58491673
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name(2S)-N-tert-butyl-5-oxooxolane-2-carboxamide
SMILESCC(C)(C)NC(=O)[C@@H]1CCC(=O)O1
InChIInChI=1S/C9H15NO3/c1-9(2,3)10-8(12)6-4-5-7(11)13-6/h6H,4-5H2,1-3H3,(H,10,12)/t6-/m0/s1
InChIKeyTYHDUCRNGNRHAG-LURJTMIESA-N
XLogP0.61
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-tert-butyl-5-oxooxolane-2-carboxamide?
The IUPAC name of (2S)-N-tert-butyl-5-oxooxolane-2-carboxamide (CID 58491673) is (2S)-N-tert-butyl-5-oxooxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-tert-butyl-5-oxooxolane-2-carboxamide?
The canonical SMILES for (2S)-N-tert-butyl-5-oxooxolane-2-carboxamide is CC(C)(C)NC(=O)[C@@H]1CCC(=O)O1.
What is the InChIKey of (2S)-N-tert-butyl-5-oxooxolane-2-carboxamide?
The InChIKey is TYHDUCRNGNRHAG-LURJTMIESA-N. The full InChI is InChI=1S/C9H15NO3/c1-9(2,3)10-8(12)6-4-5-7(11)13-6/h6H,4-5H2,1-3H3,(H,10,12)/t6-/m0/s1.
What are the key properties of (2S)-N-tert-butyl-5-oxooxolane-2-carboxamide?
(2S)-N-tert-butyl-5-oxooxolane-2-carboxamide has a molecular weight of 185.22 g/mol, XLogP of 0.61, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-tert-butyl-5-oxooxolane-2-carboxamide is sourced from PubChem (CID 58491673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).