tert-butyl N-[(1S)-1-(cyclopropen-1-yl)-2-methoxyethyl]carbamate

C11H19NO3 — CID 174196233

IUPACtert-butyl N-[(1S)-1-(cyclopropen-1-yl)-2-methoxyethyl]carbamate
SMILESCOC[C@@H](NC(=O)OC(C)(C)C)C1=CC1
InChIInChI=1S/C11H19NO3/c1-11(2,3)15-10(13)12-9(7-14-4)8-5-6-8/h5,9H,6-7H2,1-4H3,(H,12,13)/t9-/m1/s1
InChIKeyFGUZCQSKXUTNNN-SECBINFHSA-N
MW213.28 g/mol
LogP1.86
Rot. Bonds4

About tert-butyl N-[(1S)-1-(cyclopropen-1-yl)-2-methoxyethyl]carbamate

tert-butyl N-[(1S)-1-(cyclopropen-1-yl)-2-methoxyethyl]carbamate (PubChem CID 174196233) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is tert-butyl N-[(1S)-1-(cyclopropen-1-yl)-2-methoxyethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S)-1-(cyclopropen-1-yl)-2-methoxyethyl]carbamate
PubChem CID174196233
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Nametert-butyl N-[(1S)-1-(cyclopropen-1-yl)-2-methoxyethyl]carbamate
SMILESCOC[C@@H](NC(=O)OC(C)(C)C)C1=CC1
InChIInChI=1S/C11H19NO3/c1-11(2,3)15-10(13)12-9(7-14-4)8-5-6-8/h5,9H,6-7H2,1-4H3,(H,12,13)/t9-/m1/s1
InChIKeyFGUZCQSKXUTNNN-SECBINFHSA-N
XLogP1.86
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S)-1-(cyclopropen-1-yl)-2-methoxyethyl]carbamate?
The IUPAC name of tert-butyl N-[(1S)-1-(cyclopropen-1-yl)-2-methoxyethyl]carbamate (CID 174196233) is tert-butyl N-[(1S)-1-(cyclopropen-1-yl)-2-methoxyethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S)-1-(cyclopropen-1-yl)-2-methoxyethyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S)-1-(cyclopropen-1-yl)-2-methoxyethyl]carbamate is COC[C@@H](NC(=O)OC(C)(C)C)C1=CC1.
What is the InChIKey of tert-butyl N-[(1S)-1-(cyclopropen-1-yl)-2-methoxyethyl]carbamate?
The InChIKey is FGUZCQSKXUTNNN-SECBINFHSA-N. The full InChI is InChI=1S/C11H19NO3/c1-11(2,3)15-10(13)12-9(7-14-4)8-5-6-8/h5,9H,6-7H2,1-4H3,(H,12,13)/t9-/m1/s1.
What are the key properties of tert-butyl N-[(1S)-1-(cyclopropen-1-yl)-2-methoxyethyl]carbamate?
tert-butyl N-[(1S)-1-(cyclopropen-1-yl)-2-methoxyethyl]carbamate has a molecular weight of 213.28 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S)-1-(cyclopropen-1-yl)-2-methoxyethyl]carbamate is sourced from PubChem (CID 174196233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).