ethyl (4S)-2,2-dimethyl-4-(2-oxoethyl)-1,3-oxazolidine-3-carboxylate

C10H17NO4 — CID 141073522

IUPACethyl (4S)-2,2-dimethyl-4-(2-oxoethyl)-1,3-oxazolidine-3-carboxylate
SMILESCCOC(=O)N1[C@@H](CC=O)COC1(C)C
InChIInChI=1S/C10H17NO4/c1-4-14-9(13)11-8(5-6-12)7-15-10(11,2)3/h6,8H,4-5,7H2,1-3H3/t8-/m0/s1
InChIKeyMGWBYGNKCXPVMD-QMMMGPOBSA-N
MW215.25 g/mol
LogP1.17
Rot. Bonds3

About ethyl (4S)-2,2-dimethyl-4-(2-oxoethyl)-1,3-oxazolidine-3-carboxylate

ethyl (4S)-2,2-dimethyl-4-(2-oxoethyl)-1,3-oxazolidine-3-carboxylate (PubChem CID 141073522) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is ethyl (4S)-2,2-dimethyl-4-(2-oxoethyl)-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (4S)-2,2-dimethyl-4-(2-oxoethyl)-1,3-oxazolidine-3-carboxylate
PubChem CID141073522
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Nameethyl (4S)-2,2-dimethyl-4-(2-oxoethyl)-1,3-oxazolidine-3-carboxylate
SMILESCCOC(=O)N1[C@@H](CC=O)COC1(C)C
InChIInChI=1S/C10H17NO4/c1-4-14-9(13)11-8(5-6-12)7-15-10(11,2)3/h6,8H,4-5,7H2,1-3H3/t8-/m0/s1
InChIKeyMGWBYGNKCXPVMD-QMMMGPOBSA-N
XLogP1.17
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of ethyl (4S)-2,2-dimethyl-4-(2-oxoethyl)-1,3-oxazolidine-3-carboxylate?
The IUPAC name of ethyl (4S)-2,2-dimethyl-4-(2-oxoethyl)-1,3-oxazolidine-3-carboxylate (CID 141073522) is ethyl (4S)-2,2-dimethyl-4-(2-oxoethyl)-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for ethyl (4S)-2,2-dimethyl-4-(2-oxoethyl)-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for ethyl (4S)-2,2-dimethyl-4-(2-oxoethyl)-1,3-oxazolidine-3-carboxylate is CCOC(=O)N1[C@@H](CC=O)COC1(C)C.
What is the InChIKey of ethyl (4S)-2,2-dimethyl-4-(2-oxoethyl)-1,3-oxazolidine-3-carboxylate?
The InChIKey is MGWBYGNKCXPVMD-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H17NO4/c1-4-14-9(13)11-8(5-6-12)7-15-10(11,2)3/h6,8H,4-5,7H2,1-3H3/t8-/m0/s1.
What are the key properties of ethyl (4S)-2,2-dimethyl-4-(2-oxoethyl)-1,3-oxazolidine-3-carboxylate?
ethyl (4S)-2,2-dimethyl-4-(2-oxoethyl)-1,3-oxazolidine-3-carboxylate has a molecular weight of 215.25 g/mol, XLogP of 1.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (4S)-2,2-dimethyl-4-(2-oxoethyl)-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 141073522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).