methyl 2-(3-amino-2-bicyclo[2.2.1]hept-5-enyl)acetate

C10H15NO2 — CID 89197309

IUPACmethyl 2-(3-amino-2-bicyclo[2.2.1]hept-5-enyl)acetate
SMILESCOC(=O)CC1C2C=CC(C2)C1N
InChIInChI=1S/C10H15NO2/c1-13-9(12)5-8-6-2-3-7(4-6)10(8)11/h2-3,6-8,10H,4-5,11H2,1H3
InChIKeyAYMHRNXFXNLXPV-UHFFFAOYSA-N
MW181.23 g/mol
LogP0.70
Rot. Bonds2

About methyl 2-(3-amino-2-bicyclo[2.2.1]hept-5-enyl)acetate

methyl 2-(3-amino-2-bicyclo[2.2.1]hept-5-enyl)acetate (PubChem CID 89197309) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is methyl 2-(3-amino-2-bicyclo[2.2.1]hept-5-enyl)acetate.

Molecular Properties

Compound Namemethyl 2-(3-amino-2-bicyclo[2.2.1]hept-5-enyl)acetate
PubChem CID89197309
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Namemethyl 2-(3-amino-2-bicyclo[2.2.1]hept-5-enyl)acetate
SMILESCOC(=O)CC1C2C=CC(C2)C1N
InChIInChI=1S/C10H15NO2/c1-13-9(12)5-8-6-2-3-7(4-6)10(8)11/h2-3,6-8,10H,4-5,11H2,1H3
InChIKeyAYMHRNXFXNLXPV-UHFFFAOYSA-N
XLogP0.70
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl (1R,2S,3R,4R)-3-aminobicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 99719050
methyl (1S,2R,3R,4S)-3-aminobicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 99726549
methyl 2-[6-(2-methoxy-2-oxoethyl)-2-pentacyclo[5.4.1.03,10.05,9.08,11]dodecanyl]acetate
CID 13424932
methyl 2-[(1R,3S,6S)-3-tricyclo[2.2.1.02,6]heptanyl]acetate
CID 131860871
methyl (1R,2S,3S,4R)-3-(2-oxopropyl)bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 98561452
methyl 2-[(1R,2R,3R,5S)-2-fluoro-3,5-dihydroxycyclopentyl]acetate
CID 90274160
ethyl (1S,2R,3S,4R)-3-aminobicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 11886809
ethyl (1R,3R,4S)-3-aminobicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 46835766
ethyl (2R,3S)-3-aminobicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 13396162
ethyl (1R,2R,3R,4S)-3-aminobicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 86327414
(1R,2R,3S,4S)-3-aminobicyclo[2.2.1]hept-5-ene-2-carbohydrazide
CID 11205990
dimethyl 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)butanedioate
CID 163895362

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-amino-2-bicyclo[2.2.1]hept-5-enyl)acetate?
The IUPAC name of methyl 2-(3-amino-2-bicyclo[2.2.1]hept-5-enyl)acetate (CID 89197309) is methyl 2-(3-amino-2-bicyclo[2.2.1]hept-5-enyl)acetate.
What is the SMILES notation for methyl 2-(3-amino-2-bicyclo[2.2.1]hept-5-enyl)acetate?
The canonical SMILES for methyl 2-(3-amino-2-bicyclo[2.2.1]hept-5-enyl)acetate is COC(=O)CC1C2C=CC(C2)C1N.
What is the InChIKey of methyl 2-(3-amino-2-bicyclo[2.2.1]hept-5-enyl)acetate?
The InChIKey is AYMHRNXFXNLXPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-13-9(12)5-8-6-2-3-7(4-6)10(8)11/h2-3,6-8,10H,4-5,11H2,1H3.
What are the key properties of methyl 2-(3-amino-2-bicyclo[2.2.1]hept-5-enyl)acetate?
methyl 2-(3-amino-2-bicyclo[2.2.1]hept-5-enyl)acetate has a molecular weight of 181.23 g/mol, XLogP of 0.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-amino-2-bicyclo[2.2.1]hept-5-enyl)acetate is sourced from PubChem (CID 89197309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).