azetidin-3-yl N-(2-hydroxy-2-methylpropyl)carbamate

C8H16N2O3 — CID 126580724

IUPACazetidin-3-yl N-(2-hydroxy-2-methylpropyl)carbamate
SMILESCC(C)(O)CNC(=O)OC1CNC1
InChIInChI=1S/C8H16N2O3/c1-8(2,12)5-10-7(11)13-6-3-9-4-6/h6,9,12H,3-5H2,1-2H3,(H,10,11)
InChIKeyHLLLOHGJELIDLR-UHFFFAOYSA-N
MW188.23 g/mol
LogP-0.54
Rot. Bonds3

About azetidin-3-yl N-(2-hydroxy-2-methylpropyl)carbamate

azetidin-3-yl N-(2-hydroxy-2-methylpropyl)carbamate (PubChem CID 126580724) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is azetidin-3-yl N-(2-hydroxy-2-methylpropyl)carbamate.

Molecular Properties

Compound Nameazetidin-3-yl N-(2-hydroxy-2-methylpropyl)carbamate
PubChem CID126580724
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Nameazetidin-3-yl N-(2-hydroxy-2-methylpropyl)carbamate
SMILESCC(C)(O)CNC(=O)OC1CNC1
InChIInChI=1S/C8H16N2O3/c1-8(2,12)5-10-7(11)13-6-3-9-4-6/h6,9,12H,3-5H2,1-2H3,(H,10,11)
InChIKeyHLLLOHGJELIDLR-UHFFFAOYSA-N
XLogP-0.54
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 5-0.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

azetidin-3-yl N-ethylcarbamate
CID 79338252
cyclopentyl N-(2,2-dimethylpropyl)carbamate
CID 149292463
tert-butyl N-[3-(azetidin-3-yl)-2,2-dimethylpropyl]carbamate
CID 154577118
tert-butyl N-[2-(azetidin-3-ylamino)-2-methylpropyl]carbamate
CID 107249245
1-(2-hydroxy-2-methylpropyl)-3-methoxyurea
CID 130650231
tert-butyl N-[[(3R,4R)-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyrrolidin-3-yl]methyl]carbamate
CID 54508175
[(3S)-pyrrolidin-3-yl] N-(2-fluoroethyl)carbamate
CID 174695074
2-(cyclopropylmethylamino)-N-(2-hydroxy-2-methylpropyl)acetamide
CID 65107560
[(3S)-piperidin-3-yl] N-butylcarbamate
CID 79346387
piperidin-3-yl N-butylcarbamate
CID 68747208
tert-butyl N-[2-(azetidin-3-ylamino)-2-cyclopropylpropyl]carbamate
CID 107252054
tert-butyl N-[(3S,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-3-yl]carbamate
CID 24728871

Frequently Asked Questions

What is the IUPAC name of azetidin-3-yl N-(2-hydroxy-2-methylpropyl)carbamate?
The IUPAC name of azetidin-3-yl N-(2-hydroxy-2-methylpropyl)carbamate (CID 126580724) is azetidin-3-yl N-(2-hydroxy-2-methylpropyl)carbamate.
What is the SMILES notation for azetidin-3-yl N-(2-hydroxy-2-methylpropyl)carbamate?
The canonical SMILES for azetidin-3-yl N-(2-hydroxy-2-methylpropyl)carbamate is CC(C)(O)CNC(=O)OC1CNC1.
What is the InChIKey of azetidin-3-yl N-(2-hydroxy-2-methylpropyl)carbamate?
The InChIKey is HLLLOHGJELIDLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3/c1-8(2,12)5-10-7(11)13-6-3-9-4-6/h6,9,12H,3-5H2,1-2H3,(H,10,11).
What are the key properties of azetidin-3-yl N-(2-hydroxy-2-methylpropyl)carbamate?
azetidin-3-yl N-(2-hydroxy-2-methylpropyl)carbamate has a molecular weight of 188.23 g/mol, XLogP of -0.54, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-3-yl N-(2-hydroxy-2-methylpropyl)carbamate is sourced from PubChem (CID 126580724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).