tert-butyl N-(2-propoxycyclopropyl)carbamate

C11H21NO3 — CID 174856603

IUPACtert-butyl N-(2-propoxycyclopropyl)carbamate
SMILESCCCOC1CC1NC(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO3/c1-5-6-14-9-7-8(9)12-10(13)15-11(2,3)4/h8-9H,5-7H2,1-4H3,(H,12,13)
InChIKeyWRELLCUPGALYTC-UHFFFAOYSA-N
MW215.29 g/mol
LogP2.08
Rot. Bonds4

About tert-butyl N-(2-propoxycyclopropyl)carbamate

tert-butyl N-(2-propoxycyclopropyl)carbamate (PubChem CID 174856603) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is tert-butyl N-(2-propoxycyclopropyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-propoxycyclopropyl)carbamate
PubChem CID174856603
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Nametert-butyl N-(2-propoxycyclopropyl)carbamate
SMILESCCCOC1CC1NC(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO3/c1-5-6-14-9-7-8(9)12-10(13)15-11(2,3)4/h8-9H,5-7H2,1-4H3,(H,12,13)
InChIKeyWRELLCUPGALYTC-UHFFFAOYSA-N
XLogP2.08
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(1R,2R)-2-methylcyclopropyl]carbamate
CID 121309332
tert-butyl N-[2-(cyclopropylamino)-3-ethoxycyclobutyl]carbamate
CID 107255401
tert-butyl N-[2-[(3-ethoxy-2-methoxycyclobutyl)amino]cyclopropyl]carbamate
CID 107238131
tert-butyl N-[(1S,2R)-2-aminocyclopropyl]carbamate
CID 84766300
tert-butyl N-[2-(hydroxymethyl)cyclopropyl]carbamate
CID 71775631
tert-butyl N-[(1S,2S)-2-(ethylamino)cyclobutyl]carbamate
CID 162423539
tert-butyl N-[(1S,2R)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
CID 147823872
[(1S,4S)-4-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl] acetate
CID 126664177
tert-butyl N-[(3S,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-3-yl]carbamate
CID 24728871
tert-butyl N-[(1R,6S)-6-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohex-3-en-1-yl]carbamate
CID 58822264
tert-butyl N-[2-(hexan-2-ylamino)cyclopropyl]carbamate
CID 107237524
tert-butyl N-(3-chloro-7-propoxy-5,6,7,8-tetrahydroisoquinolin-8-yl)carbamate;methanol
CID 177205552

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-propoxycyclopropyl)carbamate?
The IUPAC name of tert-butyl N-(2-propoxycyclopropyl)carbamate (CID 174856603) is tert-butyl N-(2-propoxycyclopropyl)carbamate.
What is the SMILES notation for tert-butyl N-(2-propoxycyclopropyl)carbamate?
The canonical SMILES for tert-butyl N-(2-propoxycyclopropyl)carbamate is CCCOC1CC1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(2-propoxycyclopropyl)carbamate?
The InChIKey is WRELLCUPGALYTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-5-6-14-9-7-8(9)12-10(13)15-11(2,3)4/h8-9H,5-7H2,1-4H3,(H,12,13).
What are the key properties of tert-butyl N-(2-propoxycyclopropyl)carbamate?
tert-butyl N-(2-propoxycyclopropyl)carbamate has a molecular weight of 215.29 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-propoxycyclopropyl)carbamate is sourced from PubChem (CID 174856603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).