tert-butyl (4S)-4-(2-methoxy-2-oxoethyl)-5-oxo-1,3-oxazolidine-3-carboxylate

C11H17NO6 — CID 134890169

IUPACtert-butyl (4S)-4-(2-methoxy-2-oxoethyl)-5-oxo-1,3-oxazolidine-3-carboxylate
SMILESCOC(=O)C[C@H]1C(=O)OCN1C(=O)OC(C)(C)C
InChIInChI=1S/C11H17NO6/c1-11(2,3)18-10(15)12-6-17-9(14)7(12)5-8(13)16-4/h7H,5-6H2,1-4H3/t7-/m0/s1
InChIKeyJPBKMOAFOMMVIM-ZETCQYMHSA-N
MW259.26 g/mol
LogP0.67
Rot. Bonds2

About tert-butyl (4S)-4-(2-methoxy-2-oxoethyl)-5-oxo-1,3-oxazolidine-3-carboxylate

tert-butyl (4S)-4-(2-methoxy-2-oxoethyl)-5-oxo-1,3-oxazolidine-3-carboxylate (PubChem CID 134890169) has the molecular formula C11H17NO6 and a molecular weight of 259.26 g/mol. Its IUPAC name is tert-butyl (4S)-4-(2-methoxy-2-oxoethyl)-5-oxo-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4S)-4-(2-methoxy-2-oxoethyl)-5-oxo-1,3-oxazolidine-3-carboxylate
PubChem CID134890169
Molecular FormulaC11H17NO6
Molecular Weight259.26 g/mol
Exact Mass259.11
IUPAC Nametert-butyl (4S)-4-(2-methoxy-2-oxoethyl)-5-oxo-1,3-oxazolidine-3-carboxylate
SMILESCOC(=O)C[C@H]1C(=O)OCN1C(=O)OC(C)(C)C
InChIInChI=1S/C11H17NO6/c1-11(2,3)18-10(15)12-6-17-9(14)7(12)5-8(13)16-4/h7H,5-6H2,1-4H3/t7-/m0/s1
InChIKeyJPBKMOAFOMMVIM-ZETCQYMHSA-N
XLogP0.67
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze tert-butyl (4S)-4-(2-methoxy-2-oxoethyl)-5-oxo-1,3-oxazolidine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (2S)-2-{bis[(tert-butoxy)carbonyl]amino}-4-oxobutanoate
CID 15431939
tert-Butyl (4S)-4-isopropyl-2,5-dioxo-1,3-oxazolidin-3-carboxylate
CID 11064599
methyl (2R)-2-{bis[(tert-butoxy)carbonyl]amino}-4-oxobutanoate
CID 73057559
Dimethyl N,N-bis(tert-butoxycarbonyl)-L-aspartate
CID 11772830
(4S)-N-tert-Butyloxycarbonyl4-isopropyl-1,3-oxazolidin-5-one
CID 10998777
2-[(4S)-3-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxo-1,3-oxazolidin-4-yl]acetic acid
CID 11622884
Ethyl (S)-2-Boc-isoxazolidine-3-carboxylate
CID 58017546
Ditert-butyl 2-pyrrolidin-1-ylbutanedioate
CID 11022938
methyl (4R)-2-tert-butyl-4-(2-methoxy-2-oxoethyl)-1,3-oxazolidine-3-carboxylate
CID 134919429
tert-butyl (4S)-4-(2-oxoethyl)-1,3-oxazolidine-3-carboxylate
CID 135007071
3-(t-Butyl) 4,5-dimethyl (4s,5s)-oxazolidine-3,4,5-tricarboxylate
CID 164608569
methyl (2R,4R)-2-tert-butyl-4-(2-methoxy-2-oxoethyl)-1,3-oxazolidine-3-carboxylate
CID 101924407

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4S)-4-(2-methoxy-2-oxoethyl)-5-oxo-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4S)-4-(2-methoxy-2-oxoethyl)-5-oxo-1,3-oxazolidine-3-carboxylate (CID 134890169) is tert-butyl (4S)-4-(2-methoxy-2-oxoethyl)-5-oxo-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4S)-4-(2-methoxy-2-oxoethyl)-5-oxo-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4S)-4-(2-methoxy-2-oxoethyl)-5-oxo-1,3-oxazolidine-3-carboxylate is COC(=O)C[C@H]1C(=O)OCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (4S)-4-(2-methoxy-2-oxoethyl)-5-oxo-1,3-oxazolidine-3-carboxylate?
The InChIKey is JPBKMOAFOMMVIM-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H17NO6/c1-11(2,3)18-10(15)12-6-17-9(14)7(12)5-8(13)16-4/h7H,5-6H2,1-4H3/t7-/m0/s1.
What are the key properties of tert-butyl (4S)-4-(2-methoxy-2-oxoethyl)-5-oxo-1,3-oxazolidine-3-carboxylate?
tert-butyl (4S)-4-(2-methoxy-2-oxoethyl)-5-oxo-1,3-oxazolidine-3-carboxylate has a molecular weight of 259.26 g/mol, XLogP of 0.67, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4S)-4-(2-methoxy-2-oxoethyl)-5-oxo-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 134890169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).