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

C6H9NO4 — CID 11607957

IUPACmethyl (4S)-4-methyl-2-oxo-1,3-oxazolidine-4-carboxylate
SMILESCOC(=O)[C@]1(C)COC(=O)N1
InChIInChI=1S/C6H9NO4/c1-6(4(8)10-2)3-11-5(9)7-6/h3H2,1-2H3,(H,7,9)/t6-/m0/s1
InChIKeyPCDLLYMSBKMVDS-LURJTMIESA-N
MW159.14 g/mol
LogP-0.34
Rot. Bonds1

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

methyl (4S)-4-methyl-2-oxo-1,3-oxazolidine-4-carboxylate (PubChem CID 11607957) has the molecular formula C6H9NO4 and a molecular weight of 159.14 g/mol. Its IUPAC name is methyl (4S)-4-methyl-2-oxo-1,3-oxazolidine-4-carboxylate.

Molecular Properties

Compound Namemethyl (4S)-4-methyl-2-oxo-1,3-oxazolidine-4-carboxylate
PubChem CID11607957
Molecular FormulaC6H9NO4
Molecular Weight159.14 g/mol
Exact Mass159.05
IUPAC Namemethyl (4S)-4-methyl-2-oxo-1,3-oxazolidine-4-carboxylate
SMILESCOC(=O)[C@]1(C)COC(=O)N1
InChIInChI=1S/C6H9NO4/c1-6(4(8)10-2)3-11-5(9)7-6/h3H2,1-2H3,(H,7,9)/t6-/m0/s1
InChIKeyPCDLLYMSBKMVDS-LURJTMIESA-N
XLogP-0.34
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.14
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl (4S)-4-methyl-2-oxo-1,3-oxazolidine-4-carboxylate?
The IUPAC name of methyl (4S)-4-methyl-2-oxo-1,3-oxazolidine-4-carboxylate (CID 11607957) is methyl (4S)-4-methyl-2-oxo-1,3-oxazolidine-4-carboxylate.
What is the SMILES notation for methyl (4S)-4-methyl-2-oxo-1,3-oxazolidine-4-carboxylate?
The canonical SMILES for methyl (4S)-4-methyl-2-oxo-1,3-oxazolidine-4-carboxylate is COC(=O)[C@]1(C)COC(=O)N1.
What is the InChIKey of methyl (4S)-4-methyl-2-oxo-1,3-oxazolidine-4-carboxylate?
The InChIKey is PCDLLYMSBKMVDS-LURJTMIESA-N. The full InChI is InChI=1S/C6H9NO4/c1-6(4(8)10-2)3-11-5(9)7-6/h3H2,1-2H3,(H,7,9)/t6-/m0/s1.
What are the key properties of methyl (4S)-4-methyl-2-oxo-1,3-oxazolidine-4-carboxylate?
methyl (4S)-4-methyl-2-oxo-1,3-oxazolidine-4-carboxylate has a molecular weight of 159.14 g/mol, XLogP of -0.34, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4S)-4-methyl-2-oxo-1,3-oxazolidine-4-carboxylate is sourced from PubChem (CID 11607957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).