(4S)-3-(2,2-dimethylpropanoyl)-4,5,5-trimethyl-1,3-oxazolidin-2-one

C11H19NO3 — CID 18664915

IUPAC(4S)-3-(2,2-dimethylpropanoyl)-4,5,5-trimethyl-1,3-oxazolidin-2-one
SMILESC[C@@H]1N(C(=O)C(C)(C)C)C(=O)OC1(C)C
InChIInChI=1S/C11H19NO3/c1-7-11(5,6)15-9(14)12(7)8(13)10(2,3)4/h7H,1-6H3/t7-/m0/s1
InChIKeyXVDQRUWOZSJINJ-ZETCQYMHSA-N
MW213.28 g/mol
LogP2.18
Rot. Bonds

About (4S)-3-(2,2-dimethylpropanoyl)-4,5,5-trimethyl-1,3-oxazolidin-2-one

(4S)-3-(2,2-dimethylpropanoyl)-4,5,5-trimethyl-1,3-oxazolidin-2-one (PubChem CID 18664915) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is (4S)-3-(2,2-dimethylpropanoyl)-4,5,5-trimethyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-(2,2-dimethylpropanoyl)-4,5,5-trimethyl-1,3-oxazolidin-2-one
PubChem CID18664915
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name(4S)-3-(2,2-dimethylpropanoyl)-4,5,5-trimethyl-1,3-oxazolidin-2-one
SMILESC[C@@H]1N(C(=O)C(C)(C)C)C(=O)OC1(C)C
InChIInChI=1S/C11H19NO3/c1-7-11(5,6)15-9(14)12(7)8(13)10(2,3)4/h7H,1-6H3/t7-/m0/s1
InChIKeyXVDQRUWOZSJINJ-ZETCQYMHSA-N
XLogP2.18
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-3-(2,2-dimethylpropanoyl)-4,5,5-trimethyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-(2,2-dimethylpropanoyl)-4,5,5-trimethyl-1,3-oxazolidin-2-one (CID 18664915) is (4S)-3-(2,2-dimethylpropanoyl)-4,5,5-trimethyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-(2,2-dimethylpropanoyl)-4,5,5-trimethyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-(2,2-dimethylpropanoyl)-4,5,5-trimethyl-1,3-oxazolidin-2-one is C[C@@H]1N(C(=O)C(C)(C)C)C(=O)OC1(C)C.
What is the InChIKey of (4S)-3-(2,2-dimethylpropanoyl)-4,5,5-trimethyl-1,3-oxazolidin-2-one?
The InChIKey is XVDQRUWOZSJINJ-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H19NO3/c1-7-11(5,6)15-9(14)12(7)8(13)10(2,3)4/h7H,1-6H3/t7-/m0/s1.
What are the key properties of (4S)-3-(2,2-dimethylpropanoyl)-4,5,5-trimethyl-1,3-oxazolidin-2-one?
(4S)-3-(2,2-dimethylpropanoyl)-4,5,5-trimethyl-1,3-oxazolidin-2-one has a molecular weight of 213.28 g/mol, XLogP of 2.18, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-(2,2-dimethylpropanoyl)-4,5,5-trimethyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 18664915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).