cis-tert-butyl (1S,2S)-1-amino-2-ethenylcyclopropane-1-carboxylate

C10H17NO2 — CID 68578844

IUPACcis-tert-butyl (1S,2S)-1-amino-2-ethenylcyclopropane-1-carboxylate
SMILESC=C[C@@H]1C[C@@]1(N)C(=O)OC(C)(C)C
InChIInChI=1S/C10H17NO2/c1-5-7-6-10(7,11)8(12)13-9(2,3)4/h5,7H,1,6,11H2,2-4H3/t7-,10+/m1/s1
InChIKeyBBHJTXLUAMNPSO-XCBNKYQSSA-N
MW183.25 g/mol
LogP1.23
Rot. Bonds2

About cis-tert-butyl (1S,2S)-1-amino-2-ethenylcyclopropane-1-carboxylate

cis-tert-butyl (1S,2S)-1-amino-2-ethenylcyclopropane-1-carboxylate (PubChem CID 68578844) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is cis-tert-butyl (1S,2S)-1-amino-2-ethenylcyclopropane-1-carboxylate.

Molecular Properties

Compound Namecis-tert-butyl (1S,2S)-1-amino-2-ethenylcyclopropane-1-carboxylate
PubChem CID68578844
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Namecis-tert-butyl (1S,2S)-1-amino-2-ethenylcyclopropane-1-carboxylate
SMILESC=C[C@@H]1C[C@@]1(N)C(=O)OC(C)(C)C
InChIInChI=1S/C10H17NO2/c1-5-7-6-10(7,11)8(12)13-9(2,3)4/h5,7H,1,6,11H2,2-4H3/t7-,10+/m1/s1
InChIKeyBBHJTXLUAMNPSO-XCBNKYQSSA-N
XLogP1.23
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.23
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 cis-tert-butyl (1S,2S)-1-amino-2-ethenylcyclopropane-1-carboxylate?
The IUPAC name of cis-tert-butyl (1S,2S)-1-amino-2-ethenylcyclopropane-1-carboxylate (CID 68578844) is cis-tert-butyl (1S,2S)-1-amino-2-ethenylcyclopropane-1-carboxylate.
What is the SMILES notation for cis-tert-butyl (1S,2S)-1-amino-2-ethenylcyclopropane-1-carboxylate?
The canonical SMILES for cis-tert-butyl (1S,2S)-1-amino-2-ethenylcyclopropane-1-carboxylate is C=C[C@@H]1C[C@@]1(N)C(=O)OC(C)(C)C.
What is the InChIKey of cis-tert-butyl (1S,2S)-1-amino-2-ethenylcyclopropane-1-carboxylate?
The InChIKey is BBHJTXLUAMNPSO-XCBNKYQSSA-N. The full InChI is InChI=1S/C10H17NO2/c1-5-7-6-10(7,11)8(12)13-9(2,3)4/h5,7H,1,6,11H2,2-4H3/t7-,10+/m1/s1.
What are the key properties of cis-tert-butyl (1S,2S)-1-amino-2-ethenylcyclopropane-1-carboxylate?
cis-tert-butyl (1S,2S)-1-amino-2-ethenylcyclopropane-1-carboxylate has a molecular weight of 183.25 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-tert-butyl (1S,2S)-1-amino-2-ethenylcyclopropane-1-carboxylate is sourced from PubChem (CID 68578844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).