methyl 4-hydroxy-1,3-oxazolidine-4-carboxylate

C5H9NO4 — CID 175491965

IUPACmethyl 4-hydroxy-1,3-oxazolidine-4-carboxylate
SMILESCOC(=O)C1(O)COCN1
InChIInChI=1S/C5H9NO4/c1-9-4(7)5(8)2-10-3-6-5/h6,8H,2-3H2,1H3
InChIKeyIUKMEYLUBAOQCQ-UHFFFAOYSA-N
MW147.13 g/mol
LogP-1.57
Rot. Bonds1

About methyl 4-hydroxy-1,3-oxazolidine-4-carboxylate

methyl 4-hydroxy-1,3-oxazolidine-4-carboxylate (PubChem CID 175491965) has the molecular formula C5H9NO4 and a molecular weight of 147.13 g/mol. Its IUPAC name is methyl 4-hydroxy-1,3-oxazolidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 4-hydroxy-1,3-oxazolidine-4-carboxylate
PubChem CID175491965
Molecular FormulaC5H9NO4
Molecular Weight147.13 g/mol
Exact Mass147.05
IUPAC Namemethyl 4-hydroxy-1,3-oxazolidine-4-carboxylate
SMILESCOC(=O)C1(O)COCN1
InChIInChI=1S/C5H9NO4/c1-9-4(7)5(8)2-10-3-6-5/h6,8H,2-3H2,1H3
InChIKeyIUKMEYLUBAOQCQ-UHFFFAOYSA-N
XLogP-1.57
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.13
LogP ≤ 5-1.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-hydroxy-1,3-oxazolidine-4-carboxylate?
The IUPAC name of methyl 4-hydroxy-1,3-oxazolidine-4-carboxylate (CID 175491965) is methyl 4-hydroxy-1,3-oxazolidine-4-carboxylate.
What is the SMILES notation for methyl 4-hydroxy-1,3-oxazolidine-4-carboxylate?
The canonical SMILES for methyl 4-hydroxy-1,3-oxazolidine-4-carboxylate is COC(=O)C1(O)COCN1.
What is the InChIKey of methyl 4-hydroxy-1,3-oxazolidine-4-carboxylate?
The InChIKey is IUKMEYLUBAOQCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO4/c1-9-4(7)5(8)2-10-3-6-5/h6,8H,2-3H2,1H3.
What are the key properties of methyl 4-hydroxy-1,3-oxazolidine-4-carboxylate?
methyl 4-hydroxy-1,3-oxazolidine-4-carboxylate has a molecular weight of 147.13 g/mol, XLogP of -1.57, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-hydroxy-1,3-oxazolidine-4-carboxylate is sourced from PubChem (CID 175491965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).