methyl 1,3-oxazolidine-4-carboxylate

C5H9NO3 — CID 10855486

IUPACmethyl 1,3-oxazolidine-4-carboxylate
SMILESCOC(=O)C1COCN1
InChIInChI=1S/C5H9NO3/c1-8-5(7)4-2-9-3-6-4/h4,6H,2-3H2,1H3
InChIKeyHVBHFCWHESGPAK-UHFFFAOYSA-N
MW131.13 g/mol
LogP-0.89
Rot. Bonds1

About methyl 1,3-oxazolidine-4-carboxylate

methyl 1,3-oxazolidine-4-carboxylate (PubChem CID 10855486) has the molecular formula C5H9NO3 and a molecular weight of 131.13 g/mol. Its IUPAC name is methyl 1,3-oxazolidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1,3-oxazolidine-4-carboxylate
PubChem CID10855486
Molecular FormulaC5H9NO3
Molecular Weight131.13 g/mol
Exact Mass131.06
IUPAC Namemethyl 1,3-oxazolidine-4-carboxylate
SMILESCOC(=O)C1COCN1
InChIInChI=1S/C5H9NO3/c1-8-5(7)4-2-9-3-6-4/h4,6H,2-3H2,1H3
InChIKeyHVBHFCWHESGPAK-UHFFFAOYSA-N
XLogP-0.89
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.13
LogP ≤ 5-0.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(s)-Methyl 2-oxooxazolidine-4-carboxylate
CID 385463
Ethyl 2-oxo-1,3-oxazolidine-4-carboxylate
CID 538344
Methyl (4S)-2-(tert-Butyl)oxazolidine-4-carboxylate
CID 10921264
(S)-4-(Ethoxycarbonyl)oxazolidine-2-one
CID 12163241
(R)-Methyl 2-oxooxazolidine-4-carboxylate
CID 385465
Methyl 2-oxooxazolidine-4-carboxylate
CID 500251
Methyl 3-methyloxazolidine-4-carboxylate
CID 10701946
(S)-oxazolidine-4-carboxylic acid
CID 1502015
1,3-oxazolidine-4-carboxylic Acid
CID 4055113
methyl (2S)-3-methoxy-2-(methylamino)propanoate
CID 13945169
2,2-Dimethyl-1,3-oxazolidine-4-carboxylic acid
CID 18351415
[4s,5r]-5-Methyl-oxazolidine-4-carboxylic acid
CID 53994447

Frequently Asked Questions

What is the IUPAC name of methyl 1,3-oxazolidine-4-carboxylate?
The IUPAC name of methyl 1,3-oxazolidine-4-carboxylate (CID 10855486) is methyl 1,3-oxazolidine-4-carboxylate.
What is the SMILES notation for methyl 1,3-oxazolidine-4-carboxylate?
The canonical SMILES for methyl 1,3-oxazolidine-4-carboxylate is COC(=O)C1COCN1.
What is the InChIKey of methyl 1,3-oxazolidine-4-carboxylate?
The InChIKey is HVBHFCWHESGPAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO3/c1-8-5(7)4-2-9-3-6-4/h4,6H,2-3H2,1H3.
What are the key properties of methyl 1,3-oxazolidine-4-carboxylate?
methyl 1,3-oxazolidine-4-carboxylate has a molecular weight of 131.13 g/mol, XLogP of -0.89, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1,3-oxazolidine-4-carboxylate is sourced from PubChem (CID 10855486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).