tert-butyl N-[[(1R,2S)-2-acetylcyclopropyl]methyl]carbamate

C11H19NO3 — CID 143403345

IUPACtert-butyl N-[[(1R,2S)-2-acetylcyclopropyl]methyl]carbamate
SMILESCC(=O)[C@H]1C[C@H]1CNC(=O)OC(C)(C)C
InChIInChI=1S/C11H19NO3/c1-7(13)9-5-8(9)6-12-10(14)15-11(2,3)4/h8-9H,5-6H2,1-4H3,(H,12,14)/t8-,9+/m0/s1
InChIKeyQMTQNKKXRJAJAO-DTWKUNHWSA-N
MW213.28 g/mol
LogP1.74
Rot. Bonds3

About tert-butyl N-[[(1R,2S)-2-acetylcyclopropyl]methyl]carbamate

tert-butyl N-[[(1R,2S)-2-acetylcyclopropyl]methyl]carbamate (PubChem CID 143403345) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is tert-butyl N-[[(1R,2S)-2-acetylcyclopropyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[(1R,2S)-2-acetylcyclopropyl]methyl]carbamate
PubChem CID143403345
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Nametert-butyl N-[[(1R,2S)-2-acetylcyclopropyl]methyl]carbamate
SMILESCC(=O)[C@H]1C[C@H]1CNC(=O)OC(C)(C)C
InChIInChI=1S/C11H19NO3/c1-7(13)9-5-8(9)6-12-10(14)15-11(2,3)4/h8-9H,5-6H2,1-4H3,(H,12,14)/t8-,9+/m0/s1
InChIKeyQMTQNKKXRJAJAO-DTWKUNHWSA-N
XLogP1.74
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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tert-butyl N-[(2-bromocyclopentyl)methyl]carbamate
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tert-butyl N-[[2-(aminooxymethyl)cyclopropyl]methyl]carbamate
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tert-butyl N-[[2-[(2-methylcyclopropyl)methylamino]cyclopentyl]methyl]carbamate
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tert-butyl N-[[(1S,2R,4R)-2-hydroxy-4-methylcyclohexyl]methyl]carbamate
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tert-butyl N-[[(1R,2S)-2-(trifluoromethyl)cyclobutyl]methyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[(1R,2S)-2-acetylcyclopropyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[(1R,2S)-2-acetylcyclopropyl]methyl]carbamate (CID 143403345) is tert-butyl N-[[(1R,2S)-2-acetylcyclopropyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[(1R,2S)-2-acetylcyclopropyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[(1R,2S)-2-acetylcyclopropyl]methyl]carbamate is CC(=O)[C@H]1C[C@H]1CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[[(1R,2S)-2-acetylcyclopropyl]methyl]carbamate?
The InChIKey is QMTQNKKXRJAJAO-DTWKUNHWSA-N. The full InChI is InChI=1S/C11H19NO3/c1-7(13)9-5-8(9)6-12-10(14)15-11(2,3)4/h8-9H,5-6H2,1-4H3,(H,12,14)/t8-,9+/m0/s1.
What are the key properties of tert-butyl N-[[(1R,2S)-2-acetylcyclopropyl]methyl]carbamate?
tert-butyl N-[[(1R,2S)-2-acetylcyclopropyl]methyl]carbamate has a molecular weight of 213.28 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[(1R,2S)-2-acetylcyclopropyl]methyl]carbamate is sourced from PubChem (CID 143403345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).