methyl 2-diazo-2-[(2R,3R)-2,3-dimethylcyclopropyl]acetate

C8H12N2O2 — CID 137283905

IUPACmethyl 2-diazo-2-[(2R,3R)-2,3-dimethylcyclopropyl]acetate
SMILESCOC(=O)C(=[N+]=[N-])C1[C@H](C)[C@H]1C
InChIInChI=1S/C8H12N2O2/c1-4-5(2)6(4)7(10-9)8(11)12-3/h4-6H,1-3H3/t4-,5-/m1/s1
InChIKeyTXELIPIZNHTKGZ-RFZPGFLSSA-N
MW168.20 g/mol
LogP0.73
Rot. Bonds2

About methyl 2-diazo-2-[(2R,3R)-2,3-dimethylcyclopropyl]acetate

methyl 2-diazo-2-[(2R,3R)-2,3-dimethylcyclopropyl]acetate (PubChem CID 137283905) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is methyl 2-diazo-2-[(2R,3R)-2,3-dimethylcyclopropyl]acetate.

Molecular Properties

Compound Namemethyl 2-diazo-2-[(2R,3R)-2,3-dimethylcyclopropyl]acetate
PubChem CID137283905
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Namemethyl 2-diazo-2-[(2R,3R)-2,3-dimethylcyclopropyl]acetate
SMILESCOC(=O)C(=[N+]=[N-])C1[C@H](C)[C@H]1C
InChIInChI=1S/C8H12N2O2/c1-4-5(2)6(4)7(10-9)8(11)12-3/h4-6H,1-3H3/t4-,5-/m1/s1
InChIKeyTXELIPIZNHTKGZ-RFZPGFLSSA-N
XLogP0.73
TPSA62.70 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-diazo-2-[(2R,3R)-2,3-dimethylcyclopropyl]acetate?
The IUPAC name of methyl 2-diazo-2-[(2R,3R)-2,3-dimethylcyclopropyl]acetate (CID 137283905) is methyl 2-diazo-2-[(2R,3R)-2,3-dimethylcyclopropyl]acetate.
What is the SMILES notation for methyl 2-diazo-2-[(2R,3R)-2,3-dimethylcyclopropyl]acetate?
The canonical SMILES for methyl 2-diazo-2-[(2R,3R)-2,3-dimethylcyclopropyl]acetate is COC(=O)C(=[N+]=[N-])C1[C@H](C)[C@H]1C.
What is the InChIKey of methyl 2-diazo-2-[(2R,3R)-2,3-dimethylcyclopropyl]acetate?
The InChIKey is TXELIPIZNHTKGZ-RFZPGFLSSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-4-5(2)6(4)7(10-9)8(11)12-3/h4-6H,1-3H3/t4-,5-/m1/s1.
What are the key properties of methyl 2-diazo-2-[(2R,3R)-2,3-dimethylcyclopropyl]acetate?
methyl 2-diazo-2-[(2R,3R)-2,3-dimethylcyclopropyl]acetate has a molecular weight of 168.20 g/mol, XLogP of 0.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-diazo-2-[(2R,3R)-2,3-dimethylcyclopropyl]acetate is sourced from PubChem (CID 137283905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).