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

C10H17NO4 — CID 135007071

IUPACtert-butyl (4S)-4-(2-oxoethyl)-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1COC[C@@H]1CC=O
InChIInChI=1S/C10H17NO4/c1-10(2,3)15-9(13)11-7-14-6-8(11)4-5-12/h5,8H,4,6-7H2,1-3H3/t8-/m0/s1
InChIKeyVEDRWJQLHXZIIO-QMMMGPOBSA-N
MW215.25 g/mol
LogP1.17
Rot. Bonds2

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

tert-butyl (4S)-4-(2-oxoethyl)-1,3-oxazolidine-3-carboxylate (PubChem CID 135007071) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is tert-butyl (4S)-4-(2-oxoethyl)-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4S)-4-(2-oxoethyl)-1,3-oxazolidine-3-carboxylate
PubChem CID135007071
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Nametert-butyl (4S)-4-(2-oxoethyl)-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1COC[C@@H]1CC=O
InChIInChI=1S/C10H17NO4/c1-10(2,3)15-9(13)11-7-14-6-8(11)4-5-12/h5,8H,4,6-7H2,1-3H3/t8-/m0/s1
InChIKeyVEDRWJQLHXZIIO-QMMMGPOBSA-N
XLogP1.17
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl (2S)-2-{bis[(tert-butoxy)carbonyl]amino}-4-oxobutanoate
CID 15431939
methyl (2R)-2-{bis[(tert-butoxy)carbonyl]amino}-4-oxobutanoate
CID 73057559
(S)-Tert-butyl 2,2-dimethyl-4-(2-oxoethyl)oxazolidine-3-carboxylate
CID 10586317
Tert-butyl 4-ethyl-2-oxo-1,3-oxazolidine-3-carboxylate
CID 101022671
tert-butyl (4S)-4-(2-methoxy-2-oxoethyl)-5-oxo-1,3-oxazolidine-3-carboxylate
CID 134890169
tert-butyl (4R)-2,2-dimethyl-4-oxaldehydoyl-1,3-oxazolidine-3-carboxylate
CID 134987370
(R)-Tert-butyl 2,2-dimethyl-4-(2-oxoethyl)oxazolidine-3-carboxylate
CID 10776619
tert-butyl (4S)-4-(2-methoxy-2-oxo-ethyl)-2,2-dimethyl-oxazolidine-3-carboxylate
CID 10923729
2,2-Dimethyl-4-(2-oxoethyl)-3-oxazolidinecarboxylic acid tert-butyl ester
CID 21747947
2,2-Dimethyl-4-(2-oxoethyl)-1,3-oxazolidine-3-carboxylic acid
CID 22352307
(R)-N-Boc-3-(2-Oxo-ethyl)-morpholine
CID 44182331
Tert-butyl 3-(2-oxoethyl)morpholine-4-carboxylate
CID 44182333

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4S)-4-(2-oxoethyl)-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4S)-4-(2-oxoethyl)-1,3-oxazolidine-3-carboxylate (CID 135007071) is tert-butyl (4S)-4-(2-oxoethyl)-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4S)-4-(2-oxoethyl)-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4S)-4-(2-oxoethyl)-1,3-oxazolidine-3-carboxylate is CC(C)(C)OC(=O)N1COC[C@@H]1CC=O.
What is the InChIKey of tert-butyl (4S)-4-(2-oxoethyl)-1,3-oxazolidine-3-carboxylate?
The InChIKey is VEDRWJQLHXZIIO-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H17NO4/c1-10(2,3)15-9(13)11-7-14-6-8(11)4-5-12/h5,8H,4,6-7H2,1-3H3/t8-/m0/s1.
What are the key properties of tert-butyl (4S)-4-(2-oxoethyl)-1,3-oxazolidine-3-carboxylate?
tert-butyl (4S)-4-(2-oxoethyl)-1,3-oxazolidine-3-carboxylate has a molecular weight of 215.25 g/mol, XLogP of 1.17, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4S)-4-(2-oxoethyl)-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 135007071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).