tert-butyl 3-[(2R)-1-hydroxy-4-oxoazetidin-2-yl]propanoate

C10H17NO4 — CID 10036217

IUPACtert-butyl 3-[(2R)-1-hydroxy-4-oxoazetidin-2-yl]propanoate
SMILESCC(C)(C)OC(=O)CC[C@@H]1CC(=O)N1O
InChIInChI=1S/C10H17NO4/c1-10(2,3)15-9(13)5-4-7-6-8(12)11(7)14/h7,14H,4-6H2,1-3H3/t7-/m1/s1
InChIKeySIUGTXBTHVFUDU-SSDOTTSWSA-N
MW215.25 g/mol
LogP1.10
Rot. Bonds3

About tert-butyl 3-[(2R)-1-hydroxy-4-oxoazetidin-2-yl]propanoate

tert-butyl 3-[(2R)-1-hydroxy-4-oxoazetidin-2-yl]propanoate (PubChem CID 10036217) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is tert-butyl 3-[(2R)-1-hydroxy-4-oxoazetidin-2-yl]propanoate.

Molecular Properties

Compound Nametert-butyl 3-[(2R)-1-hydroxy-4-oxoazetidin-2-yl]propanoate
PubChem CID10036217
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Nametert-butyl 3-[(2R)-1-hydroxy-4-oxoazetidin-2-yl]propanoate
SMILESCC(C)(C)OC(=O)CC[C@@H]1CC(=O)N1O
InChIInChI=1S/C10H17NO4/c1-10(2,3)15-9(13)5-4-7-6-8(12)11(7)14/h7,14H,4-6H2,1-3H3/t7-/m1/s1
InChIKeySIUGTXBTHVFUDU-SSDOTTSWSA-N
XLogP1.10
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 3-(3-methylidenecyclobutyl)propanoate
CID 159592323
tert-butyl 2-[2-(2-iodoethyl)-4-oxoazetidin-1-yl]acetate
CID 121223083
tert-butyl 2-[1-[2-(methylamino)-2-oxoethyl]-4-oxoazetidin-2-yl]acetate
CID 13228405
tert-butyl 3-(4-ethylcyclohexyl)propanoate
CID 58103664
tert-butyl 2-[(4R)-2-oxo-4-(3-oxo-3-phenylsulfanylpropyl)azetidin-1-yl]acetate
CID 143957858
tert-butyl 3-(3,5-dioxo-1,2,4-triazolidin-4-yl)propanoate
CID 10889691
1-O-tert-butyl 19-O-(2,5-dioxopyrrolidin-1-yl) nonadecanedioate
CID 133081009
ditert-butyl pentanedioate
CID 3016405
1-O-tert-butyl 14-O-(2,5-dioxopyrrolidin-1-yl) tetradecanedioate
CID 87253097
tert-butyl 3-[5-oxo-2,2-bis(trifluoromethyl)-1,3-dioxolan-4-yl]propanoate
CID 101227253
tert-butyl 2-(1-methyl-2,6-dioxopiperidin-3-yl)acetate
CID 58127117
6-O-tert-butyl 1-O-(2,5-dioxocyclopentyl) hexanedioate
CID 59519855

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[(2R)-1-hydroxy-4-oxoazetidin-2-yl]propanoate?
The IUPAC name of tert-butyl 3-[(2R)-1-hydroxy-4-oxoazetidin-2-yl]propanoate (CID 10036217) is tert-butyl 3-[(2R)-1-hydroxy-4-oxoazetidin-2-yl]propanoate.
What is the SMILES notation for tert-butyl 3-[(2R)-1-hydroxy-4-oxoazetidin-2-yl]propanoate?
The canonical SMILES for tert-butyl 3-[(2R)-1-hydroxy-4-oxoazetidin-2-yl]propanoate is CC(C)(C)OC(=O)CC[C@@H]1CC(=O)N1O.
What is the InChIKey of tert-butyl 3-[(2R)-1-hydroxy-4-oxoazetidin-2-yl]propanoate?
The InChIKey is SIUGTXBTHVFUDU-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H17NO4/c1-10(2,3)15-9(13)5-4-7-6-8(12)11(7)14/h7,14H,4-6H2,1-3H3/t7-/m1/s1.
What are the key properties of tert-butyl 3-[(2R)-1-hydroxy-4-oxoazetidin-2-yl]propanoate?
tert-butyl 3-[(2R)-1-hydroxy-4-oxoazetidin-2-yl]propanoate has a molecular weight of 215.25 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[(2R)-1-hydroxy-4-oxoazetidin-2-yl]propanoate is sourced from PubChem (CID 10036217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).