methyl (4S)-2,2-dimethyl-1,3-oxazolidine-4-carboxylate

C7H13NO3 — CID 45090331

IUPACmethyl (4S)-2,2-dimethyl-1,3-oxazolidine-4-carboxylate
SMILESCOC(=O)[C@@H]1COC(C)(C)N1
InChIInChI=1S/C7H13NO3/c1-7(2)8-5(4-11-7)6(9)10-3/h5,8H,4H2,1-3H3/t5-/m0/s1
InChIKeyXFUHHBPJJIJGDN-YFKPBYRVSA-N
MW159.18 g/mol
LogP-0.12
Rot. Bonds1

About methyl (4S)-2,2-dimethyl-1,3-oxazolidine-4-carboxylate

methyl (4S)-2,2-dimethyl-1,3-oxazolidine-4-carboxylate (PubChem CID 45090331) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is methyl (4S)-2,2-dimethyl-1,3-oxazolidine-4-carboxylate.

Molecular Properties

Compound Namemethyl (4S)-2,2-dimethyl-1,3-oxazolidine-4-carboxylate
PubChem CID45090331
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Namemethyl (4S)-2,2-dimethyl-1,3-oxazolidine-4-carboxylate
SMILESCOC(=O)[C@@H]1COC(C)(C)N1
InChIInChI=1S/C7H13NO3/c1-7(2)8-5(4-11-7)6(9)10-3/h5,8H,4H2,1-3H3/t5-/m0/s1
InChIKeyXFUHHBPJJIJGDN-YFKPBYRVSA-N
XLogP-0.12
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl (4S)-2,2-dimethyl-1,3-oxazolidine-4-carboxylate?
The IUPAC name of methyl (4S)-2,2-dimethyl-1,3-oxazolidine-4-carboxylate (CID 45090331) is methyl (4S)-2,2-dimethyl-1,3-oxazolidine-4-carboxylate.
What is the SMILES notation for methyl (4S)-2,2-dimethyl-1,3-oxazolidine-4-carboxylate?
The canonical SMILES for methyl (4S)-2,2-dimethyl-1,3-oxazolidine-4-carboxylate is COC(=O)[C@@H]1COC(C)(C)N1.
What is the InChIKey of methyl (4S)-2,2-dimethyl-1,3-oxazolidine-4-carboxylate?
The InChIKey is XFUHHBPJJIJGDN-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H13NO3/c1-7(2)8-5(4-11-7)6(9)10-3/h5,8H,4H2,1-3H3/t5-/m0/s1.
What are the key properties of methyl (4S)-2,2-dimethyl-1,3-oxazolidine-4-carboxylate?
methyl (4S)-2,2-dimethyl-1,3-oxazolidine-4-carboxylate has a molecular weight of 159.18 g/mol, XLogP of -0.12, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4S)-2,2-dimethyl-1,3-oxazolidine-4-carboxylate is sourced from PubChem (CID 45090331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).