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

C9H16N2O4 — CID 14934425

IUPACtert-butyl (4S)-4-carbamoyl-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1COC[C@H]1C(N)=O
InChIInChI=1S/C9H16N2O4/c1-9(2,3)15-8(13)11-5-14-4-6(11)7(10)12/h6H,4-5H2,1-3H3,(H2,10,12)/t6-/m0/s1
InChIKeyHAPBJEQPKUGZEB-LURJTMIESA-N
MW216.24 g/mol
LogP0.07
Rot. Bonds1

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

tert-butyl (4S)-4-carbamoyl-1,3-oxazolidine-3-carboxylate (PubChem CID 14934425) has the molecular formula C9H16N2O4 and a molecular weight of 216.24 g/mol. Its IUPAC name is tert-butyl (4S)-4-carbamoyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4S)-4-carbamoyl-1,3-oxazolidine-3-carboxylate
PubChem CID14934425
Molecular FormulaC9H16N2O4
Molecular Weight216.24 g/mol
Exact Mass216.11
IUPAC Nametert-butyl (4S)-4-carbamoyl-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1COC[C@H]1C(N)=O
InChIInChI=1S/C9H16N2O4/c1-9(2,3)15-8(13)11-5-14-4-6(11)7(10)12/h6H,4-5H2,1-3H3,(H2,10,12)/t6-/m0/s1
InChIKeyHAPBJEQPKUGZEB-LURJTMIESA-N
XLogP0.07
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (4S)-4-carbamoyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4S)-4-carbamoyl-1,3-oxazolidine-3-carboxylate (CID 14934425) is tert-butyl (4S)-4-carbamoyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4S)-4-carbamoyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4S)-4-carbamoyl-1,3-oxazolidine-3-carboxylate is CC(C)(C)OC(=O)N1COC[C@H]1C(N)=O.
What is the InChIKey of tert-butyl (4S)-4-carbamoyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is HAPBJEQPKUGZEB-LURJTMIESA-N. The full InChI is InChI=1S/C9H16N2O4/c1-9(2,3)15-8(13)11-5-14-4-6(11)7(10)12/h6H,4-5H2,1-3H3,(H2,10,12)/t6-/m0/s1.
What are the key properties of tert-butyl (4S)-4-carbamoyl-1,3-oxazolidine-3-carboxylate?
tert-butyl (4S)-4-carbamoyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 216.24 g/mol, XLogP of 0.07, 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-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 14934425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).