butan-2-yl 3-hydroxyazetidine-1-carboxylate

C8H15NO3 — CID 133080854

IUPACbutan-2-yl 3-hydroxyazetidine-1-carboxylate
SMILESCCC(C)OC(=O)N1CC(O)C1
InChIInChI=1S/C8H15NO3/c1-3-6(2)12-8(11)9-4-7(10)5-9/h6-7,10H,3-5H2,1-2H3
InChIKeyNODKGIBZUOOQEB-UHFFFAOYSA-N
MW173.21 g/mol
LogP0.60
Rot. Bonds2

About butan-2-yl 3-hydroxyazetidine-1-carboxylate

butan-2-yl 3-hydroxyazetidine-1-carboxylate (PubChem CID 133080854) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is butan-2-yl 3-hydroxyazetidine-1-carboxylate.

Molecular Properties

Compound Namebutan-2-yl 3-hydroxyazetidine-1-carboxylate
PubChem CID133080854
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Namebutan-2-yl 3-hydroxyazetidine-1-carboxylate
SMILESCCC(C)OC(=O)N1CC(O)C1
InChIInChI=1S/C8H15NO3/c1-3-6(2)12-8(11)9-4-7(10)5-9/h6-7,10H,3-5H2,1-2H3
InChIKeyNODKGIBZUOOQEB-UHFFFAOYSA-N
XLogP0.60
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze butan-2-yl 3-hydroxyazetidine-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

butan-2-yl 4-methylpiperidine-1-carboxylate
CID 58345850
(2R,4R)-1-butan-2-yloxycarbonyl-4-hydroxypyrrolidine-2-carboxylic acid
CID 150158266
butan-2-yl 3-oxoazetidine-1-carboxylate
CID 172738538
(2S,3S)-2-amino-1-(3-hydroxyazetidin-1-yl)-3-methylpentan-1-one
CID 103950797
propan-2-yl (3S,4R)-3,4-dihydroxypyrrolidine-1-carboxylate
CID 79410861
propan-2-yl 3,4-dihydroxypyrrolidine-1-carboxylate
CID 106668534
1-(3-methylpentan-2-yl)azetidin-3-ol
CID 130698575
(2S)-2-chloro-1-(3-hydroxyazetidin-1-yl)butan-1-one
CID 129495116
2-chloro-1-(3-hydroxyazetidin-1-yl)butan-1-one
CID 121201266
2-bromo-1-(3-hydroxyazetidin-1-yl)butan-1-one
CID 107216545
[(2R)-butan-2-yl] [(2S)-butan-2-yl] carbonate
CID 173085312
butan-2-yl 4-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate
CID 150128918

Frequently Asked Questions

What is the IUPAC name of butan-2-yl 3-hydroxyazetidine-1-carboxylate?
The IUPAC name of butan-2-yl 3-hydroxyazetidine-1-carboxylate (CID 133080854) is butan-2-yl 3-hydroxyazetidine-1-carboxylate.
What is the SMILES notation for butan-2-yl 3-hydroxyazetidine-1-carboxylate?
The canonical SMILES for butan-2-yl 3-hydroxyazetidine-1-carboxylate is CCC(C)OC(=O)N1CC(O)C1.
What is the InChIKey of butan-2-yl 3-hydroxyazetidine-1-carboxylate?
The InChIKey is NODKGIBZUOOQEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-3-6(2)12-8(11)9-4-7(10)5-9/h6-7,10H,3-5H2,1-2H3.
What are the key properties of butan-2-yl 3-hydroxyazetidine-1-carboxylate?
butan-2-yl 3-hydroxyazetidine-1-carboxylate has a molecular weight of 173.21 g/mol, XLogP of 0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yl 3-hydroxyazetidine-1-carboxylate is sourced from PubChem (CID 133080854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).