tert-butyl N-[1-(azetidin-3-yl)-2-hydroxyethyl]carbamate

C10H20N2O3 — CID 135392522

IUPACtert-butyl N-[1-(azetidin-3-yl)-2-hydroxyethyl]carbamate
SMILESCC(C)(C)OC(=O)NC(CO)C1CNC1
InChIInChI=1S/C10H20N2O3/c1-10(2,3)15-9(14)12-8(6-13)7-4-11-5-7/h7-8,11,13H,4-6H2,1-3H3,(H,12,14)
InChIKeyJXWIARUNJQPTKB-UHFFFAOYSA-N
MW216.28 g/mol
LogP0.09
Rot. Bonds3

About tert-butyl N-[1-(azetidin-3-yl)-2-hydroxyethyl]carbamate

tert-butyl N-[1-(azetidin-3-yl)-2-hydroxyethyl]carbamate (PubChem CID 135392522) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is tert-butyl N-[1-(azetidin-3-yl)-2-hydroxyethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(azetidin-3-yl)-2-hydroxyethyl]carbamate
PubChem CID135392522
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Nametert-butyl N-[1-(azetidin-3-yl)-2-hydroxyethyl]carbamate
SMILESCC(C)(C)OC(=O)NC(CO)C1CNC1
InChIInChI=1S/C10H20N2O3/c1-10(2,3)15-9(14)12-8(6-13)7-4-11-5-7/h7-8,11,13H,4-6H2,1-3H3,(H,12,14)
InChIKeyJXWIARUNJQPTKB-UHFFFAOYSA-N
XLogP0.09
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(1S)-1-cyclopentyl-2-hydroxyethyl]carbamate
CID 91195138
tert-butyl N-[(1S)-1-(4,4-difluorocyclohexyl)-2-hydroxyethyl]carbamate
CID 131744619
methyl 2-[4-[2-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]cyclohexyl]acetate
CID 142441432
tert-butyl N-[(1S)-1-(2,2-difluorocyclopropyl)-2-hydroxyethyl]carbamate
CID 170585101
propyl 4-[(1S)-2-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]cyclohexane-1-carboxylate
CID 144990565
methyl (1S,2S,3R)-2-[(1S)-2-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-3-methylcyclopropane-1-carboxylate
CID 11043943
tert-butyl N-[(2S)-1-cyclopentyl-3-hydroxypropan-2-yl]carbamate
CID 59383028
tert-butyl N-[(1S)-2-hydroxy-1-[(2R,3S)-3-(hydroxymethyl)oxiran-2-yl]ethyl]carbamate
CID 102114974
tert-butyl N-[(2S)-1-cyclobutyl-3-hydroxypropan-2-yl]carbamate
CID 51669789
tert-butyl N-[azetidin-3-yl(piperidin-3-yl)methyl]carbamate
CID 52911112
tert-butyl N-[(3S,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-3-yl]carbamate
CID 24728871
tert-butyl N-(1-cyclohexyl-3-hydroxypropyl)carbamate
CID 24729723

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(azetidin-3-yl)-2-hydroxyethyl]carbamate?
The IUPAC name of tert-butyl N-[1-(azetidin-3-yl)-2-hydroxyethyl]carbamate (CID 135392522) is tert-butyl N-[1-(azetidin-3-yl)-2-hydroxyethyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(azetidin-3-yl)-2-hydroxyethyl]carbamate?
The canonical SMILES for tert-butyl N-[1-(azetidin-3-yl)-2-hydroxyethyl]carbamate is CC(C)(C)OC(=O)NC(CO)C1CNC1.
What is the InChIKey of tert-butyl N-[1-(azetidin-3-yl)-2-hydroxyethyl]carbamate?
The InChIKey is JXWIARUNJQPTKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-10(2,3)15-9(14)12-8(6-13)7-4-11-5-7/h7-8,11,13H,4-6H2,1-3H3,(H,12,14).
What are the key properties of tert-butyl N-[1-(azetidin-3-yl)-2-hydroxyethyl]carbamate?
tert-butyl N-[1-(azetidin-3-yl)-2-hydroxyethyl]carbamate has a molecular weight of 216.28 g/mol, XLogP of 0.09, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(azetidin-3-yl)-2-hydroxyethyl]carbamate is sourced from PubChem (CID 135392522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).