methyl 2-tert-butyl-1,3-oxazolidine-4-carboxylate

C9H17NO3 — CID 14039017

IUPACmethyl 2-tert-butyl-1,3-oxazolidine-4-carboxylate
SMILESCOC(=O)C1COC(C(C)(C)C)N1
InChIInChI=1S/C9H17NO3/c1-9(2,3)8-10-6(5-13-8)7(11)12-4/h6,8,10H,5H2,1-4H3
InChIKeyFCOMFAAEZRWCKY-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.52
Rot. Bonds1

About methyl 2-tert-butyl-1,3-oxazolidine-4-carboxylate

methyl 2-tert-butyl-1,3-oxazolidine-4-carboxylate (PubChem CID 14039017) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is methyl 2-tert-butyl-1,3-oxazolidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-tert-butyl-1,3-oxazolidine-4-carboxylate
PubChem CID14039017
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Namemethyl 2-tert-butyl-1,3-oxazolidine-4-carboxylate
SMILESCOC(=O)C1COC(C(C)(C)C)N1
InChIInChI=1S/C9H17NO3/c1-9(2,3)8-10-6(5-13-8)7(11)12-4/h6,8,10H,5H2,1-4H3
InChIKeyFCOMFAAEZRWCKY-UHFFFAOYSA-N
XLogP0.52
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl (4S)-2-(tert-Butyl)oxazolidine-4-carboxylate
CID 10921264
2,2-Dimethyl-1,3-oxazolidine-4-carboxylic acid
CID 18351415
methyl (2S,4S)-2-(trifluoromethyl)-1,3-oxazolidine-4-carboxylate
CID 46844592
methyl (2R,4S)-2-(trifluoromethyl)-1,3-oxazolidine-4-carboxylate
CID 46844715
Methyl 3-[(2-methylpropan-2-yl)oxy]-2-(propylamino)propanoate
CID 61953297
Methyl 1,3-oxazolidine-4-carboxylate
CID 10855486
methyl (2R,4S)-2-tert-butyl-1,3-oxazolidine-4-carboxylate
CID 11095331
2,4-Di(propan-2-yl)-1,3-oxazolidin-5-one
CID 14469830
Ethyl 1,3-oxazolidine-4-carboxylate
CID 20437351
2,4-Dimethyl-1,3-oxazolidin-5-one
CID 23529460
(4S)-2,2-Dimethyl-1,3-oxazolidine-4-carboxylic acid
CID 24804857
Methyl 2,2-dimethyloxazolidine-4-carboxylate
CID 45090330

Frequently Asked Questions

What is the IUPAC name of methyl 2-tert-butyl-1,3-oxazolidine-4-carboxylate?
The IUPAC name of methyl 2-tert-butyl-1,3-oxazolidine-4-carboxylate (CID 14039017) is methyl 2-tert-butyl-1,3-oxazolidine-4-carboxylate.
What is the SMILES notation for methyl 2-tert-butyl-1,3-oxazolidine-4-carboxylate?
The canonical SMILES for methyl 2-tert-butyl-1,3-oxazolidine-4-carboxylate is COC(=O)C1COC(C(C)(C)C)N1.
What is the InChIKey of methyl 2-tert-butyl-1,3-oxazolidine-4-carboxylate?
The InChIKey is FCOMFAAEZRWCKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-9(2,3)8-10-6(5-13-8)7(11)12-4/h6,8,10H,5H2,1-4H3.
What are the key properties of methyl 2-tert-butyl-1,3-oxazolidine-4-carboxylate?
methyl 2-tert-butyl-1,3-oxazolidine-4-carboxylate has a molecular weight of 187.24 g/mol, XLogP of 0.52, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-tert-butyl-1,3-oxazolidine-4-carboxylate is sourced from PubChem (CID 14039017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).