methyl 3-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]-(2-methoxyethyl)amino]propanoate

C16H27NO4 — CID 78959054

IUPACmethyl 3-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]-(2-methoxyethyl)amino]propanoate
SMILESCOCCN(CCC(=O)OC)C(=O)CC1CC2CCC1C2
InChIInChI=1S/C16H27NO4/c1-20-8-7-17(6-5-16(19)21-2)15(18)11-14-10-12-3-4-13(14)9-12/h12-14H,3-11H2,1-2H3
InChIKeyLMXKYQBYIUGYFP-UHFFFAOYSA-N
MW297.39 g/mol
LogP1.85
Rot. Bonds8

About methyl 3-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]-(2-methoxyethyl)amino]propanoate

methyl 3-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]-(2-methoxyethyl)amino]propanoate (PubChem CID 78959054) has the molecular formula C16H27NO4 and a molecular weight of 297.39 g/mol. Its IUPAC name is methyl 3-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]-(2-methoxyethyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]-(2-methoxyethyl)amino]propanoate
PubChem CID78959054
Molecular FormulaC16H27NO4
Molecular Weight297.39 g/mol
Exact Mass297.19
IUPAC Namemethyl 3-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]-(2-methoxyethyl)amino]propanoate
SMILESCOCCN(CCC(=O)OC)C(=O)CC1CC2CCC1C2
InChIInChI=1S/C16H27NO4/c1-20-8-7-17(6-5-16(19)21-2)15(18)11-14-10-12-3-4-13(14)9-12/h12-14H,3-11H2,1-2H3
InChIKeyLMXKYQBYIUGYFP-UHFFFAOYSA-N
XLogP1.85
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.39
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 3-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]-(2-methoxyethyl)amino]propanoate with MolForge

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Related Compounds

methyl 3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]propanoate
CID 63684175
methyl 3-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]propanoate
CID 11367388
2-(2-bicyclo[2.2.1]heptanyl)-N,N-dimethylacetamide
CID 42910279
methyl 3-[3,3-dimethylbutanoyl(2-methoxyethyl)amino]propanoate
CID 78959557
methyl 3-[2-methoxyethyl-(2-methylsulfanylacetyl)amino]propanoate
CID 78958925
ethyl 2-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetate
CID 10655027
methyl 3-[heptanoyl(2-methoxyethyl)amino]propanoate
CID 78959098
2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 136755739
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2-methoxyethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 136755738
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(2S)-1-methoxypropan-2-yl]acetamide
CID 98679471
2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 98679474
2-(2-bicyclo[2.2.1]heptanyl)-N-(1-hydroxy-4-methoxybutan-2-yl)acetamide
CID 114211440

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]-(2-methoxyethyl)amino]propanoate?
The IUPAC name of methyl 3-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]-(2-methoxyethyl)amino]propanoate (CID 78959054) is methyl 3-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]-(2-methoxyethyl)amino]propanoate.
What is the SMILES notation for methyl 3-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]-(2-methoxyethyl)amino]propanoate?
The canonical SMILES for methyl 3-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]-(2-methoxyethyl)amino]propanoate is COCCN(CCC(=O)OC)C(=O)CC1CC2CCC1C2.
What is the InChIKey of methyl 3-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]-(2-methoxyethyl)amino]propanoate?
The InChIKey is LMXKYQBYIUGYFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO4/c1-20-8-7-17(6-5-16(19)21-2)15(18)11-14-10-12-3-4-13(14)9-12/h12-14H,3-11H2,1-2H3.
What are the key properties of methyl 3-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]-(2-methoxyethyl)amino]propanoate?
methyl 3-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]-(2-methoxyethyl)amino]propanoate has a molecular weight of 297.39 g/mol, XLogP of 1.85, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]-(2-methoxyethyl)amino]propanoate is sourced from PubChem (CID 78959054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).