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

C6H11NO3 — CID 10701946

IUPACmethyl 3-methyl-1,3-oxazolidine-4-carboxylate
SMILESCOC(=O)C1COCN1C
InChIInChI=1S/C6H11NO3/c1-7-4-10-3-5(7)6(8)9-2/h5H,3-4H2,1-2H3
InChIKeyNWPLTXRRARUDRU-UHFFFAOYSA-N
MW145.16 g/mol
LogP-0.55
Rot. Bonds1

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

methyl 3-methyl-1,3-oxazolidine-4-carboxylate (PubChem CID 10701946) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is methyl 3-methyl-1,3-oxazolidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-methyl-1,3-oxazolidine-4-carboxylate
PubChem CID10701946
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Namemethyl 3-methyl-1,3-oxazolidine-4-carboxylate
SMILESCOC(=O)C1COCN1C
InChIInChI=1S/C6H11NO3/c1-7-4-10-3-5(7)6(8)9-2/h5H,3-4H2,1-2H3
InChIKeyNWPLTXRRARUDRU-UHFFFAOYSA-N
XLogP-0.55
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-0.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

dimethyl 3,8-dioxa-1,6-diazabicyclo[4.4.1]undecane-5,10-dicarboxylate
CID 90845318
ethane;methyl 4-methylmorpholine-3-carboxylate
CID 144576536
methyl 3-(2-hydroxy-3,3-dimethylpentanoyl)-1,3-oxazolidine-4-carboxylate
CID 141015513
methyl 1-methylpyrrolidine-2-carboxylate
CID 529062
methyl 4-(3-methylbut-2-enyl)morpholine-3-carboxylate
CID 115670618
methyl 4-(4-hydroxybutyl)morpholine-3-carboxylate
CID 115670600
methyl 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine-4-carboxylate
CID 170423315
3-O-benzyl 4-O-methyl (4S)-1,3-oxazolidine-3,4-dicarboxylate
CID 14630870
dimethyl (2S,4S)-1-methylpyrrolidine-2,4-dicarboxylate
CID 58854681
methyl 4-(2,2-dimethylpropanoyl)morpholine-3-carboxylate
CID 104774844
methyl (3R)-4-(2-cyanoethyl)morpholine-3-carboxylate
CID 97300104
methyl 4-(2,2-difluoroacetyl)morpholine-3-carboxylate
CID 103514384

Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-1,3-oxazolidine-4-carboxylate?
The IUPAC name of methyl 3-methyl-1,3-oxazolidine-4-carboxylate (CID 10701946) is methyl 3-methyl-1,3-oxazolidine-4-carboxylate.
What is the SMILES notation for methyl 3-methyl-1,3-oxazolidine-4-carboxylate?
The canonical SMILES for methyl 3-methyl-1,3-oxazolidine-4-carboxylate is COC(=O)C1COCN1C.
What is the InChIKey of methyl 3-methyl-1,3-oxazolidine-4-carboxylate?
The InChIKey is NWPLTXRRARUDRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3/c1-7-4-10-3-5(7)6(8)9-2/h5H,3-4H2,1-2H3.
What are the key properties of methyl 3-methyl-1,3-oxazolidine-4-carboxylate?
methyl 3-methyl-1,3-oxazolidine-4-carboxylate has a molecular weight of 145.16 g/mol, XLogP of -0.55, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-1,3-oxazolidine-4-carboxylate is sourced from PubChem (CID 10701946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).