tert-butyl 3-hydroxy-2,3-dihydroazete-4-carboxylate

C8H13NO3 — CID 68733064

IUPACtert-butyl 3-hydroxy-2,3-dihydroazete-4-carboxylate
SMILESCC(C)(C)OC(=O)C1=NCC1O
InChIInChI=1S/C8H13NO3/c1-8(2,3)12-7(11)6-5(10)4-9-6/h5,10H,4H2,1-3H3
InChIKeyCUNRPFGWZZPWEK-UHFFFAOYSA-N
MW171.20 g/mol
LogP0.14
Rot. Bonds1

About tert-butyl 3-hydroxy-2,3-dihydroazete-4-carboxylate

tert-butyl 3-hydroxy-2,3-dihydroazete-4-carboxylate (PubChem CID 68733064) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is tert-butyl 3-hydroxy-2,3-dihydroazete-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-hydroxy-2,3-dihydroazete-4-carboxylate
PubChem CID68733064
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Nametert-butyl 3-hydroxy-2,3-dihydroazete-4-carboxylate
SMILESCC(C)(C)OC(=O)C1=NCC1O
InChIInChI=1S/C8H13NO3/c1-8(2,3)12-7(11)6-5(10)4-9-6/h5,10H,4H2,1-3H3
InChIKeyCUNRPFGWZZPWEK-UHFFFAOYSA-N
XLogP0.14
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-hydroxy-2,3-dihydroazete-4-carboxylate?
The IUPAC name of tert-butyl 3-hydroxy-2,3-dihydroazete-4-carboxylate (CID 68733064) is tert-butyl 3-hydroxy-2,3-dihydroazete-4-carboxylate.
What is the SMILES notation for tert-butyl 3-hydroxy-2,3-dihydroazete-4-carboxylate?
The canonical SMILES for tert-butyl 3-hydroxy-2,3-dihydroazete-4-carboxylate is CC(C)(C)OC(=O)C1=NCC1O.
What is the InChIKey of tert-butyl 3-hydroxy-2,3-dihydroazete-4-carboxylate?
The InChIKey is CUNRPFGWZZPWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c1-8(2,3)12-7(11)6-5(10)4-9-6/h5,10H,4H2,1-3H3.
What are the key properties of tert-butyl 3-hydroxy-2,3-dihydroazete-4-carboxylate?
tert-butyl 3-hydroxy-2,3-dihydroazete-4-carboxylate has a molecular weight of 171.20 g/mol, XLogP of 0.14, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-hydroxy-2,3-dihydroazete-4-carboxylate is sourced from PubChem (CID 68733064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).