ethyl 2-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetate

C11H18O2 — CID 10655027

IUPACethyl 2-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetate
SMILESCCOC(=O)C[C@H]1C[C@@H]2CC[C@H]1C2
InChIInChI=1S/C11H18O2/c1-2-13-11(12)7-10-6-8-3-4-9(10)5-8/h8-10H,2-7H2,1H3/t8-,9+,10-/m1/s1
InChIKeyAUTDAVPVPASYDM-KXUCPTDWSA-N
MW182.26 g/mol
LogP2.38
Rot. Bonds3

About ethyl 2-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetate

ethyl 2-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetate (PubChem CID 10655027) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is ethyl 2-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetate.

Molecular Properties

Compound Nameethyl 2-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetate
PubChem CID10655027
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Nameethyl 2-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetate
SMILESCCOC(=O)C[C@H]1C[C@@H]2CC[C@H]1C2
InChIInChI=1S/C11H18O2/c1-2-13-11(12)7-10-6-8-3-4-9(10)5-8/h8-10H,2-7H2,1H3/t8-,9+,10-/m1/s1
InChIKeyAUTDAVPVPASYDM-KXUCPTDWSA-N
XLogP2.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze ethyl 2-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetate with MolForge

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Related Compounds

propyl 2-(2-bicyclo[2.2.1]heptanyl)acetate
CID 43389559
ethyl 3-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]propanoate
CID 98287617
ethyl 2-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]prop-2-enoate
CID 10703588
ethyl 4-[2-[2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]oxyacetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate
CID 11932781
[4-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]oxymethyl]phenyl]methyl 2-(2-bicyclo[2.2.1]heptanyl)acetate
CID 23850335
[(2R)-1-amino-1-oxopropan-2-yl] 2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetate
CID 22525444
ethyl 3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]butanoate
CID 63683321
2-(2-bicyclo[2.2.1]heptanyl)-N,N-dimethylacetamide
CID 42910279
2-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]acetic acid
CID 11457802
2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetyl chloride
CID 124526975
3-amino-1-(2-bicyclo[2.2.1]heptanyl)-3-ethylpentan-2-one
CID 116592595
[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] 2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetate
CID 11937938

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetate?
The IUPAC name of ethyl 2-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetate (CID 10655027) is ethyl 2-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetate.
What is the SMILES notation for ethyl 2-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetate?
The canonical SMILES for ethyl 2-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetate is CCOC(=O)C[C@H]1C[C@@H]2CC[C@H]1C2.
What is the InChIKey of ethyl 2-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetate?
The InChIKey is AUTDAVPVPASYDM-KXUCPTDWSA-N. The full InChI is InChI=1S/C11H18O2/c1-2-13-11(12)7-10-6-8-3-4-9(10)5-8/h8-10H,2-7H2,1H3/t8-,9+,10-/m1/s1.
What are the key properties of ethyl 2-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetate?
ethyl 2-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetate has a molecular weight of 182.26 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetate is sourced from PubChem (CID 10655027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).