tert-butyl 3-(3-hydroxybutan-2-yl)azetidine-1-carboxylate

C12H23NO3 — CID 135396451

IUPACtert-butyl 3-(3-hydroxybutan-2-yl)azetidine-1-carboxylate
SMILESCC(O)C(C)C1CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C12H23NO3/c1-8(9(2)14)10-6-13(7-10)11(15)16-12(3,4)5/h8-10,14H,6-7H2,1-5H3
InChIKeyMOOOQGGRBMPWJI-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.87
Rot. Bonds2

About tert-butyl 3-(3-hydroxybutan-2-yl)azetidine-1-carboxylate

tert-butyl 3-(3-hydroxybutan-2-yl)azetidine-1-carboxylate (PubChem CID 135396451) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is tert-butyl 3-(3-hydroxybutan-2-yl)azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(3-hydroxybutan-2-yl)azetidine-1-carboxylate
PubChem CID135396451
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Nametert-butyl 3-(3-hydroxybutan-2-yl)azetidine-1-carboxylate
SMILESCC(O)C(C)C1CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C12H23NO3/c1-8(9(2)14)10-6-13(7-10)11(15)16-12(3,4)5/h8-10,14H,6-7H2,1-5H3
InChIKeyMOOOQGGRBMPWJI-UHFFFAOYSA-N
XLogP1.87
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl 3-(3-hydroxybutan-2-yl)azetidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 3-(1-chloroethyl)azetidine-1-carboxylate
CID 71633200
tert-butyl 3-[(1R)-1-aminoethyl]azetidine-1-carboxylate
CID 86332880
2-hydroxy-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid
CID 58520870
tert-butyl 3-[(S)-cyclopropyl(hydroxy)methyl]azetidine-1-carboxylate
CID 154703134
ditert-butyl 4,9-diazatricyclo[5.3.0.02,6]decane-4,9-dicarboxylate
CID 118111531
tert-butyl 3-propan-2-yloxyazetidine-1-carboxylate
CID 59346870
1-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]ethanesulfinate
CID 58348292
tert-butyl 3-[(1R)-1-amino-2-methoxy-2-oxoethyl]azetidine-1-carboxylate
CID 124585912
tert-butyl 3-[(1R)-1-(propan-2-ylamino)ethyl]azetidine-1-carboxylate
CID 97174928
tert-butyl (3S,4S)-3,4-dimethylpyrrolidine-1-carboxylate
CID 90195379
(2S)-2-fluoro-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid
CID 124573048
tert-butyl (3S)-3-propan-2-ylpyrrolidine-1-carboxylate
CID 139452592

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(3-hydroxybutan-2-yl)azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(3-hydroxybutan-2-yl)azetidine-1-carboxylate (CID 135396451) is tert-butyl 3-(3-hydroxybutan-2-yl)azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(3-hydroxybutan-2-yl)azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(3-hydroxybutan-2-yl)azetidine-1-carboxylate is CC(O)C(C)C1CN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-(3-hydroxybutan-2-yl)azetidine-1-carboxylate?
The InChIKey is MOOOQGGRBMPWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-8(9(2)14)10-6-13(7-10)11(15)16-12(3,4)5/h8-10,14H,6-7H2,1-5H3.
What are the key properties of tert-butyl 3-(3-hydroxybutan-2-yl)azetidine-1-carboxylate?
tert-butyl 3-(3-hydroxybutan-2-yl)azetidine-1-carboxylate has a molecular weight of 229.32 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(3-hydroxybutan-2-yl)azetidine-1-carboxylate is sourced from PubChem (CID 135396451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).