tert-butyl 2-methyl-1,3-oxazolidine-3-carboxylate

C9H17NO3 — CID 141017816

IUPACtert-butyl 2-methyl-1,3-oxazolidine-3-carboxylate
SMILESCC1OCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C9H17NO3/c1-7-10(5-6-12-7)8(11)13-9(2,3)4/h7H,5-6H2,1-4H3
InChIKeySUEKOLPTYLFNIN-UHFFFAOYSA-N
MW187.24 g/mol
LogP1.60
Rot. Bonds

About tert-butyl 2-methyl-1,3-oxazolidine-3-carboxylate

tert-butyl 2-methyl-1,3-oxazolidine-3-carboxylate (PubChem CID 141017816) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is tert-butyl 2-methyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-methyl-1,3-oxazolidine-3-carboxylate
PubChem CID141017816
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Nametert-butyl 2-methyl-1,3-oxazolidine-3-carboxylate
SMILESCC1OCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C9H17NO3/c1-7-10(5-6-12-7)8(11)13-9(2,3)4/h7H,5-6H2,1-4H3
InChIKeySUEKOLPTYLFNIN-UHFFFAOYSA-N
XLogP1.60
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-methyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl 2-methyl-1,3-oxazolidine-3-carboxylate (CID 141017816) is tert-butyl 2-methyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl 2-methyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl 2-methyl-1,3-oxazolidine-3-carboxylate is CC1OCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-methyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is SUEKOLPTYLFNIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-7-10(5-6-12-7)8(11)13-9(2,3)4/h7H,5-6H2,1-4H3.
What are the key properties of tert-butyl 2-methyl-1,3-oxazolidine-3-carboxylate?
tert-butyl 2-methyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 187.24 g/mol, XLogP of 1.60, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-methyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 141017816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).