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

C11H20N2O4 — CID 53248641

IUPACtert-butyl (4S)-4-carbamoyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1[C@H](C(N)=O)COC1(C)C
InChIInChI=1S/C11H20N2O4/c1-10(2,3)17-9(15)13-7(8(12)14)6-16-11(13,4)5/h7H,6H2,1-5H3,(H2,12,14)/t7-/m0/s1
InChIKeyZCRICKKPZZNTRW-ZETCQYMHSA-N
MW244.29 g/mol
LogP0.84
Rot. Bonds1

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

tert-butyl (4S)-4-carbamoyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 53248641) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is tert-butyl (4S)-4-carbamoyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4S)-4-carbamoyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
PubChem CID53248641
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Nametert-butyl (4S)-4-carbamoyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1[C@H](C(N)=O)COC1(C)C
InChIInChI=1S/C11H20N2O4/c1-10(2,3)17-9(15)13-7(8(12)14)6-16-11(13,4)5/h7H,6H2,1-5H3,(H2,12,14)/t7-/m0/s1
InChIKeyZCRICKKPZZNTRW-ZETCQYMHSA-N
XLogP0.84
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl (4S)-4-carbamoyl-2,2-dimethyl-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

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4S)-4-carbamoyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4S)-4-carbamoyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (CID 53248641) is tert-butyl (4S)-4-carbamoyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4S)-4-carbamoyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4S)-4-carbamoyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is CC(C)(C)OC(=O)N1[C@H](C(N)=O)COC1(C)C.
What is the InChIKey of tert-butyl (4S)-4-carbamoyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is ZCRICKKPZZNTRW-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-10(2,3)17-9(15)13-7(8(12)14)6-16-11(13,4)5/h7H,6H2,1-5H3,(H2,12,14)/t7-/m0/s1.
What are the key properties of tert-butyl (4S)-4-carbamoyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
tert-butyl (4S)-4-carbamoyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 244.29 g/mol, XLogP of 0.84, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4S)-4-carbamoyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 53248641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).