tert-butyl (2R)-2-[(1,1-dioxothiolan-2-yl)methylcarbamoyl]azetidine-1-carboxylate

C14H24N2O5S — CID 122144658

IUPACtert-butyl (2R)-2-[(1,1-dioxothiolan-2-yl)methylcarbamoyl]azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@@H]1C(=O)NCC1CCCS1(=O)=O
InChIInChI=1S/C14H24N2O5S/c1-14(2,3)21-13(18)16-7-6-11(16)12(17)15-9-10-5-4-8-22(10,19)20/h10-11H,4-9H2,1-3H3,(H,15,17)/t10?,11-/m1/s1
InChIKeyIRAZOTSXRYNTSN-RRKGBCIJSA-N
MW332.42 g/mol
LogP0.69
Rot. Bonds3

About tert-butyl (2R)-2-[(1,1-dioxothiolan-2-yl)methylcarbamoyl]azetidine-1-carboxylate

tert-butyl (2R)-2-[(1,1-dioxothiolan-2-yl)methylcarbamoyl]azetidine-1-carboxylate (PubChem CID 122144658) has the molecular formula C14H24N2O5S and a molecular weight of 332.42 g/mol. Its IUPAC name is tert-butyl (2R)-2-[(1,1-dioxothiolan-2-yl)methylcarbamoyl]azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-[(1,1-dioxothiolan-2-yl)methylcarbamoyl]azetidine-1-carboxylate
PubChem CID122144658
Molecular FormulaC14H24N2O5S
Molecular Weight332.42 g/mol
Exact Mass332.14
IUPAC Nametert-butyl (2R)-2-[(1,1-dioxothiolan-2-yl)methylcarbamoyl]azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@@H]1C(=O)NCC1CCCS1(=O)=O
InChIInChI=1S/C14H24N2O5S/c1-14(2,3)21-13(18)16-7-6-11(16)12(17)15-9-10-5-4-8-22(10,19)20/h10-11H,4-9H2,1-3H3,(H,15,17)/t10?,11-/m1/s1
InChIKeyIRAZOTSXRYNTSN-RRKGBCIJSA-N
XLogP0.69
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.42
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 6-[(1,1-dioxothiolan-2-yl)methylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398277
tert-butyl (2R)-2-(hydrazinecarbonyl)azetidine-1-carboxylate
CID 129408107
tert-butyl (2S)-2-(hexylcarbamoyl)azetidine-1-carboxylate
CID 58606947
tert-butyl (2S)-2-[[(2S)-oxolan-2-yl]methylcarbamoyl]pyrrolidine-1-carboxylate
CID 94913786
tert-butyl (2S)-2-[2-(methylamino)ethylcarbamoyl]pyrrolidine-1-carboxylate
CID 102225547
1-O-tert-butyl 2-O-methyl (2S)-azetidine-1,2-dicarboxylate
CID 14821736
tert-butyl (2R)-2-(3-methylbutylcarbamoyl)pyrrolidine-1-carboxylate
CID 70050480
tert-butyl 2-(3-methylbutylcarbamoyl)pyrrolidine-1-carboxylate
CID 57153522
ditert-butyl azetidine-1,2-dicarboxylate
CID 14821737
tert-butyl (2S)-2-(hydroxycarbamoyl)pyrrolidine-1-carboxylate
CID 14471857
tert-butyl (2S)-2-(4-aminobutylcarbamoyl)pyrrolidine-1-carboxylate
CID 102225545
tert-butyl 2-[2-[(2-methoxy-2-oxoethyl)carbamoyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylate
CID 142730493

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-[(1,1-dioxothiolan-2-yl)methylcarbamoyl]azetidine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-2-[(1,1-dioxothiolan-2-yl)methylcarbamoyl]azetidine-1-carboxylate (CID 122144658) is tert-butyl (2R)-2-[(1,1-dioxothiolan-2-yl)methylcarbamoyl]azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-[(1,1-dioxothiolan-2-yl)methylcarbamoyl]azetidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-[(1,1-dioxothiolan-2-yl)methylcarbamoyl]azetidine-1-carboxylate is CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)NCC1CCCS1(=O)=O.
What is the InChIKey of tert-butyl (2R)-2-[(1,1-dioxothiolan-2-yl)methylcarbamoyl]azetidine-1-carboxylate?
The InChIKey is IRAZOTSXRYNTSN-RRKGBCIJSA-N. The full InChI is InChI=1S/C14H24N2O5S/c1-14(2,3)21-13(18)16-7-6-11(16)12(17)15-9-10-5-4-8-22(10,19)20/h10-11H,4-9H2,1-3H3,(H,15,17)/t10?,11-/m1/s1.
What are the key properties of tert-butyl (2R)-2-[(1,1-dioxothiolan-2-yl)methylcarbamoyl]azetidine-1-carboxylate?
tert-butyl (2R)-2-[(1,1-dioxothiolan-2-yl)methylcarbamoyl]azetidine-1-carboxylate has a molecular weight of 332.42 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-[(1,1-dioxothiolan-2-yl)methylcarbamoyl]azetidine-1-carboxylate is sourced from PubChem (CID 122144658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).