prop-2-ynyl N-(1-tert-butylazetidin-3-yl)carbamate

C11H18N2O2 — CID 89460440

IUPACprop-2-ynyl N-(1-tert-butylazetidin-3-yl)carbamate
SMILESC#CCOC(=O)NC1CN(C(C)(C)C)C1
InChIInChI=1S/C11H18N2O2/c1-5-6-15-10(14)12-9-7-13(8-9)11(2,3)4/h1,9H,6-8H2,2-4H3,(H,12,14)
InChIKeyNMNRHAICOWPRRR-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.83
Rot. Bonds2

About prop-2-ynyl N-(1-tert-butylazetidin-3-yl)carbamate

prop-2-ynyl N-(1-tert-butylazetidin-3-yl)carbamate (PubChem CID 89460440) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is prop-2-ynyl N-(1-tert-butylazetidin-3-yl)carbamate.

Molecular Properties

Compound Nameprop-2-ynyl N-(1-tert-butylazetidin-3-yl)carbamate
PubChem CID89460440
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Nameprop-2-ynyl N-(1-tert-butylazetidin-3-yl)carbamate
SMILESC#CCOC(=O)NC1CN(C(C)(C)C)C1
InChIInChI=1S/C11H18N2O2/c1-5-6-15-10(14)12-9-7-13(8-9)11(2,3)4/h1,9H,6-8H2,2-4H3,(H,12,14)
InChIKeyNMNRHAICOWPRRR-UHFFFAOYSA-N
XLogP0.83
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-(1-tert-butylazetidin-3-yl)carbamate
CID 89460397
prop-2-ynyl N-(4-aminocyclohexyl)carbamate
CID 130606195
N-(1-tert-butylazetidin-3-yl)acetamide
CID 58877828
prop-2-ynyl N-(4-hydroxyoxolan-3-yl)carbamate
CID 130751512
tert-butyl N-[(3R)-1-tert-butylpyrrolidin-3-yl]carbamate
CID 59986888
prop-2-ynyl N-prop-2-ynoxycarbonylcarbamate
CID 13314992
benzyl N-[(3R,5R)-1-tert-butyl-5-phenylpiperidin-3-yl]carbamate
CID 118413200
N-(1-tert-butylazetidin-3-yl)-2-phenylacetamide
CID 164918158
benzyl N-[(3S,4S)-1-tert-butyl-4-hydroxypyrrolidin-3-yl]carbamate
CID 130205686
prop-2-ynyl (6R,7R)-3-methyl-8-oxo-7-(prop-2-ynoxycarbonylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
CID 90148319
tert-butyl 3-(9H-fluoren-9-ylmethoxycarbonylamino)azetidine-1-carboxylate
CID 163288237
tert-butyl N-[(3S)-1-(prop-2-ynylcarbamoyl)piperidin-3-yl]carbamate
CID 94193162

Frequently Asked Questions

What is the IUPAC name of prop-2-ynyl N-(1-tert-butylazetidin-3-yl)carbamate?
The IUPAC name of prop-2-ynyl N-(1-tert-butylazetidin-3-yl)carbamate (CID 89460440) is prop-2-ynyl N-(1-tert-butylazetidin-3-yl)carbamate.
What is the SMILES notation for prop-2-ynyl N-(1-tert-butylazetidin-3-yl)carbamate?
The canonical SMILES for prop-2-ynyl N-(1-tert-butylazetidin-3-yl)carbamate is C#CCOC(=O)NC1CN(C(C)(C)C)C1.
What is the InChIKey of prop-2-ynyl N-(1-tert-butylazetidin-3-yl)carbamate?
The InChIKey is NMNRHAICOWPRRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-5-6-15-10(14)12-9-7-13(8-9)11(2,3)4/h1,9H,6-8H2,2-4H3,(H,12,14).
What are the key properties of prop-2-ynyl N-(1-tert-butylazetidin-3-yl)carbamate?
prop-2-ynyl N-(1-tert-butylazetidin-3-yl)carbamate has a molecular weight of 210.28 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-ynyl N-(1-tert-butylazetidin-3-yl)carbamate is sourced from PubChem (CID 89460440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).