tert-butyl N-[N-ethyl-C-(3-hydroxyazetidin-1-yl)carbonimidoyl]carbamate

C11H21N3O3 — CID 137402273

IUPACtert-butyl N-[N-ethyl-C-(3-hydroxyazetidin-1-yl)carbonimidoyl]carbamate
SMILESCC/N=C(\NC(=O)OC(C)(C)C)N1CC(O)C1
InChIInChI=1S/C11H21N3O3/c1-5-12-9(14-6-8(15)7-14)13-10(16)17-11(2,3)4/h8,15H,5-7H2,1-4H3,(H,12,13,16)
InChIKeyNNYVSDGTPNMGTF-UHFFFAOYSA-N
MW243.31 g/mol
LogP0.56
Rot. Bonds1

About tert-butyl N-[N-ethyl-C-(3-hydroxyazetidin-1-yl)carbonimidoyl]carbamate

tert-butyl N-[N-ethyl-C-(3-hydroxyazetidin-1-yl)carbonimidoyl]carbamate (PubChem CID 137402273) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is tert-butyl N-[N-ethyl-C-(3-hydroxyazetidin-1-yl)carbonimidoyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[N-ethyl-C-(3-hydroxyazetidin-1-yl)carbonimidoyl]carbamate
PubChem CID137402273
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Nametert-butyl N-[N-ethyl-C-(3-hydroxyazetidin-1-yl)carbonimidoyl]carbamate
SMILESCC/N=C(\NC(=O)OC(C)(C)C)N1CC(O)C1
InChIInChI=1S/C11H21N3O3/c1-5-12-9(14-6-8(15)7-14)13-10(16)17-11(2,3)4/h8,15H,5-7H2,1-4H3,(H,12,13,16)
InChIKeyNNYVSDGTPNMGTF-UHFFFAOYSA-N
XLogP0.56
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

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CID 178113267
tert-butyl N-[(2S)-1-(3-hydroxyazetidin-1-yl)-3-methyl-1-oxobutan-2-yl]carbamate
CID 67774386
tert-butyl (NE)-N-[[(2-methylpropan-2-yl)oxycarbonylamino]-pyrrolidin-1-ylmethylidene]carbamate
CID 10710322
tert-butyl N-[1-cyclobutyl-2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]carbamate
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(E)-2-[N'-ethyl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]but-2-enoic acid
CID 91540710
tert-butyl N-[2-(3-hydroxyazetidine-1-carbonyl)cyclooctyl]carbamate
CID 102559856
tert-butyl N-(1-propanoylazetidin-3-yl)carbamate
CID 163264454
tert-butyl N-[(2S)-1-(3-hydroxypyrrolidin-1-yl)-4-methyl-1-oxopentan-2-yl]carbamate
CID 10709372
tert-butyl (3S,4S)-3-ethyl-4-hydroxypyrrolidine-1-carboxylate
CID 59842033
tert-butyl N-[(2S)-1-[6-hydroxy-4-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutanoyl]-1,4-diazepan-1-yl]-1-oxo-4-phenylbutan-2-yl]carbamate
CID 139822148
tert-butyl N-[1-[N'-ethyl-N-(2-phenylcyclopropyl)carbamimidoyl]pyrrolidin-3-yl]carbamate
CID 111730451
tert-butyl 3-[(N,N'-diethylcarbamimidoyl)amino]azetidine-1-carboxylate
CID 111911190

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[N-ethyl-C-(3-hydroxyazetidin-1-yl)carbonimidoyl]carbamate?
The IUPAC name of tert-butyl N-[N-ethyl-C-(3-hydroxyazetidin-1-yl)carbonimidoyl]carbamate (CID 137402273) is tert-butyl N-[N-ethyl-C-(3-hydroxyazetidin-1-yl)carbonimidoyl]carbamate.
What is the SMILES notation for tert-butyl N-[N-ethyl-C-(3-hydroxyazetidin-1-yl)carbonimidoyl]carbamate?
The canonical SMILES for tert-butyl N-[N-ethyl-C-(3-hydroxyazetidin-1-yl)carbonimidoyl]carbamate is CC/N=C(\NC(=O)OC(C)(C)C)N1CC(O)C1.
What is the InChIKey of tert-butyl N-[N-ethyl-C-(3-hydroxyazetidin-1-yl)carbonimidoyl]carbamate?
The InChIKey is NNYVSDGTPNMGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-5-12-9(14-6-8(15)7-14)13-10(16)17-11(2,3)4/h8,15H,5-7H2,1-4H3,(H,12,13,16).
What are the key properties of tert-butyl N-[N-ethyl-C-(3-hydroxyazetidin-1-yl)carbonimidoyl]carbamate?
tert-butyl N-[N-ethyl-C-(3-hydroxyazetidin-1-yl)carbonimidoyl]carbamate has a molecular weight of 243.31 g/mol, XLogP of 0.56, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[N-ethyl-C-(3-hydroxyazetidin-1-yl)carbonimidoyl]carbamate is sourced from PubChem (CID 137402273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).