(4S)-2,2-dimethyl-4-(methylsulfanylmethyl)-1,3-oxazolidine-3-carboxylic acid

C8H15NO3S — CID 69483719

IUPAC(4S)-2,2-dimethyl-4-(methylsulfanylmethyl)-1,3-oxazolidine-3-carboxylic acid
SMILESCSC[C@@H]1COC(C)(C)N1C(=O)O
InChIInChI=1S/C8H15NO3S/c1-8(2)9(7(10)11)6(4-12-8)5-13-3/h6H,4-5H2,1-3H3,(H,10,11)/t6-/m0/s1
InChIKeyVZDUMXHFKUMSND-LURJTMIESA-N
MW205.28 g/mol
LogP1.46
Rot. Bonds2

About (4S)-2,2-dimethyl-4-(methylsulfanylmethyl)-1,3-oxazolidine-3-carboxylic acid

(4S)-2,2-dimethyl-4-(methylsulfanylmethyl)-1,3-oxazolidine-3-carboxylic acid (PubChem CID 69483719) has the molecular formula C8H15NO3S and a molecular weight of 205.28 g/mol. Its IUPAC name is (4S)-2,2-dimethyl-4-(methylsulfanylmethyl)-1,3-oxazolidine-3-carboxylic acid.

Molecular Properties

Compound Name(4S)-2,2-dimethyl-4-(methylsulfanylmethyl)-1,3-oxazolidine-3-carboxylic acid
PubChem CID69483719
Molecular FormulaC8H15NO3S
Molecular Weight205.28 g/mol
Exact Mass205.08
IUPAC Name(4S)-2,2-dimethyl-4-(methylsulfanylmethyl)-1,3-oxazolidine-3-carboxylic acid
SMILESCSC[C@@H]1COC(C)(C)N1C(=O)O
InChIInChI=1S/C8H15NO3S/c1-8(2)9(7(10)11)6(4-12-8)5-13-3/h6H,4-5H2,1-3H3,(H,10,11)/t6-/m0/s1
InChIKeyVZDUMXHFKUMSND-LURJTMIESA-N
XLogP1.46
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-2,2-dimethyl-4-(methylsulfanylmethyl)-1,3-oxazolidine-3-carboxylic acid?
The IUPAC name of (4S)-2,2-dimethyl-4-(methylsulfanylmethyl)-1,3-oxazolidine-3-carboxylic acid (CID 69483719) is (4S)-2,2-dimethyl-4-(methylsulfanylmethyl)-1,3-oxazolidine-3-carboxylic acid.
What is the SMILES notation for (4S)-2,2-dimethyl-4-(methylsulfanylmethyl)-1,3-oxazolidine-3-carboxylic acid?
The canonical SMILES for (4S)-2,2-dimethyl-4-(methylsulfanylmethyl)-1,3-oxazolidine-3-carboxylic acid is CSC[C@@H]1COC(C)(C)N1C(=O)O.
What is the InChIKey of (4S)-2,2-dimethyl-4-(methylsulfanylmethyl)-1,3-oxazolidine-3-carboxylic acid?
The InChIKey is VZDUMXHFKUMSND-LURJTMIESA-N. The full InChI is InChI=1S/C8H15NO3S/c1-8(2)9(7(10)11)6(4-12-8)5-13-3/h6H,4-5H2,1-3H3,(H,10,11)/t6-/m0/s1.
What are the key properties of (4S)-2,2-dimethyl-4-(methylsulfanylmethyl)-1,3-oxazolidine-3-carboxylic acid?
(4S)-2,2-dimethyl-4-(methylsulfanylmethyl)-1,3-oxazolidine-3-carboxylic acid has a molecular weight of 205.28 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2,2-dimethyl-4-(methylsulfanylmethyl)-1,3-oxazolidine-3-carboxylic acid is sourced from PubChem (CID 69483719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).