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

C7H13NO3 — CID 24975850

IUPACethyl 4-methyl-1,3-oxazolidine-4-carboxylate
SMILESCCOC(=O)C1(C)COCN1
InChIInChI=1S/C7H13NO3/c1-3-11-6(9)7(2)4-10-5-8-7/h8H,3-5H2,1-2H3
InChIKeyPTGYCLQAIPZYKX-UHFFFAOYSA-N
MW159.18 g/mol
LogP-0.11
Rot. Bonds2

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

ethyl 4-methyl-1,3-oxazolidine-4-carboxylate (PubChem CID 24975850) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is ethyl 4-methyl-1,3-oxazolidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 4-methyl-1,3-oxazolidine-4-carboxylate
PubChem CID24975850
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Nameethyl 4-methyl-1,3-oxazolidine-4-carboxylate
SMILESCCOC(=O)C1(C)COCN1
InChIInChI=1S/C7H13NO3/c1-3-11-6(9)7(2)4-10-5-8-7/h8H,3-5H2,1-2H3
InChIKeyPTGYCLQAIPZYKX-UHFFFAOYSA-N
XLogP-0.11
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 4-methyl-2-oxooxazolidine-4-carboxylate
CID 57461221
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
(4s,5r)-3,5-Oxazolidinedicarboxylic acid
CID 129853338
methyl (4S)-4-methyl-2-oxo-1,3-oxazolidine-4-carboxylate
CID 11607957
Methyl 1,3-oxazolidine-4-carboxylate
CID 10855486
methyl (2R,4S)-2-tert-butyl-1,3-oxazolidine-4-carboxylate
CID 11095331
4-Methyl-1,3-oxazolidine-4-carboxylic acid
CID 12052303
Methyl 2-tert-butyl-1,3-oxazolidine-4-carboxylate
CID 14039017
Ethyl 1,3-oxazolidine-4-carboxylate
CID 20437351
(4S)-1,3-oxazolidin-3-ium-4-carboxylate
CID 40478956

Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-1,3-oxazolidine-4-carboxylate?
The IUPAC name of ethyl 4-methyl-1,3-oxazolidine-4-carboxylate (CID 24975850) is ethyl 4-methyl-1,3-oxazolidine-4-carboxylate.
What is the SMILES notation for ethyl 4-methyl-1,3-oxazolidine-4-carboxylate?
The canonical SMILES for ethyl 4-methyl-1,3-oxazolidine-4-carboxylate is CCOC(=O)C1(C)COCN1.
What is the InChIKey of ethyl 4-methyl-1,3-oxazolidine-4-carboxylate?
The InChIKey is PTGYCLQAIPZYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-3-11-6(9)7(2)4-10-5-8-7/h8H,3-5H2,1-2H3.
What are the key properties of ethyl 4-methyl-1,3-oxazolidine-4-carboxylate?
ethyl 4-methyl-1,3-oxazolidine-4-carboxylate has a molecular weight of 159.18 g/mol, XLogP of -0.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-1,3-oxazolidine-4-carboxylate is sourced from PubChem (CID 24975850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).