tert-butyl N-[2-(hydroxymethyl)-4-oxoazetidin-3-yl]carbamate

C9H16N2O4 — CID 14329172

IUPACtert-butyl N-[2-(hydroxymethyl)-4-oxoazetidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1C(=O)NC1CO
InChIInChI=1S/C9H16N2O4/c1-9(2,3)15-8(14)11-6-5(4-12)10-7(6)13/h5-6,12H,4H2,1-3H3,(H,10,13)(H,11,14)
InChIKeyJGCFOKHULWJGSK-UHFFFAOYSA-N
MW216.24 g/mol
LogP-0.63
Rot. Bonds2

About tert-butyl N-[2-(hydroxymethyl)-4-oxoazetidin-3-yl]carbamate

tert-butyl N-[2-(hydroxymethyl)-4-oxoazetidin-3-yl]carbamate (PubChem CID 14329172) has the molecular formula C9H16N2O4 and a molecular weight of 216.24 g/mol. Its IUPAC name is tert-butyl N-[2-(hydroxymethyl)-4-oxoazetidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(hydroxymethyl)-4-oxoazetidin-3-yl]carbamate
PubChem CID14329172
Molecular FormulaC9H16N2O4
Molecular Weight216.24 g/mol
Exact Mass216.11
IUPAC Nametert-butyl N-[2-(hydroxymethyl)-4-oxoazetidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1C(=O)NC1CO
InChIInChI=1S/C9H16N2O4/c1-9(2,3)15-8(14)11-6-5(4-12)10-7(6)13/h5-6,12H,4H2,1-3H3,(H,10,13)(H,11,14)
InChIKeyJGCFOKHULWJGSK-UHFFFAOYSA-N
XLogP-0.63
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 5-0.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[2-(hydroxymethyl)-4-oxoazetidin-3-yl]carbamate 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 N-[(3R,4R)-2-oxo-4-undecylazetidin-3-yl]carbamate
CID 122221251
tert-butyl N-[(2S,3R)-2-(azidomethyl)-4-oxoazetidin-3-yl]carbamate
CID 86734331
1-[(Z)-[2-[[(2S,3S)-2-(hydroxymethyl)-4-oxoazetidin-3-yl]amino]-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]-2-oxoethylidene]amino]oxycyclopropane-1-carboxylic acid
CID 118379953
tert-butyl N-[(3S,4R)-2-oxo-4-propan-2-ylpiperidin-3-yl]carbamate
CID 95654557
tert-butyl N-(3-hydroxy-2-oxopiperidin-4-yl)carbamate
CID 130420312
tert-butyl N-[(3R)-2-oxopyrrolidin-3-yl]carbamate
CID 10774403
3-hydrazinyl-4-(hydroxymethyl)azetidin-2-one
CID 54491574
tert-butyl N-[2-[(4R,5R)-4-(hydroxymethyl)-2-oxo-1,3-oxazolidin-5-yl]ethyl]carbamate
CID 11043499
tert-butyl N-[(6S)-6-methyl-2-oxopiperidin-3-yl]carbamate
CID 155351163
tert-butyl N-[(3S,6R)-6-hydroxy-2-oxoazocan-3-yl]carbamate
CID 102263285
tert-butyl N-[4-[(2S,3R)-3-hydroxy-4-oxoazetidin-2-yl]cyclohexyl]carbamate
CID 11055202
tert-butyl N-(3,5-dioxocyclohexyl)carbamate
CID 84691194

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(hydroxymethyl)-4-oxoazetidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[2-(hydroxymethyl)-4-oxoazetidin-3-yl]carbamate (CID 14329172) is tert-butyl N-[2-(hydroxymethyl)-4-oxoazetidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(hydroxymethyl)-4-oxoazetidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[2-(hydroxymethyl)-4-oxoazetidin-3-yl]carbamate is CC(C)(C)OC(=O)NC1C(=O)NC1CO.
What is the InChIKey of tert-butyl N-[2-(hydroxymethyl)-4-oxoazetidin-3-yl]carbamate?
The InChIKey is JGCFOKHULWJGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O4/c1-9(2,3)15-8(14)11-6-5(4-12)10-7(6)13/h5-6,12H,4H2,1-3H3,(H,10,13)(H,11,14).
What are the key properties of tert-butyl N-[2-(hydroxymethyl)-4-oxoazetidin-3-yl]carbamate?
tert-butyl N-[2-(hydroxymethyl)-4-oxoazetidin-3-yl]carbamate has a molecular weight of 216.24 g/mol, XLogP of -0.63, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(hydroxymethyl)-4-oxoazetidin-3-yl]carbamate is sourced from PubChem (CID 14329172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).