methyl 3-(2-bicyclo[2.2.1]heptanylmethylamino)-2,2-dimethylpropanoate

C14H25NO2 — CID 79623458

IUPACmethyl 3-(2-bicyclo[2.2.1]heptanylmethylamino)-2,2-dimethylpropanoate
SMILESCOC(=O)C(C)(C)CNCC1CC2CCC1C2
InChIInChI=1S/C14H25NO2/c1-14(2,13(16)17-3)9-15-8-12-7-10-4-5-11(12)6-10/h10-12,15H,4-9H2,1-3H3
InChIKeyWYQQQKBQZOSWKJ-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.21
Rot. Bonds5

About methyl 3-(2-bicyclo[2.2.1]heptanylmethylamino)-2,2-dimethylpropanoate

methyl 3-(2-bicyclo[2.2.1]heptanylmethylamino)-2,2-dimethylpropanoate (PubChem CID 79623458) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is methyl 3-(2-bicyclo[2.2.1]heptanylmethylamino)-2,2-dimethylpropanoate.

Molecular Properties

Compound Namemethyl 3-(2-bicyclo[2.2.1]heptanylmethylamino)-2,2-dimethylpropanoate
PubChem CID79623458
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Namemethyl 3-(2-bicyclo[2.2.1]heptanylmethylamino)-2,2-dimethylpropanoate
SMILESCOC(=O)C(C)(C)CNCC1CC2CCC1C2
InChIInChI=1S/C14H25NO2/c1-14(2,13(16)17-3)9-15-8-12-7-10-4-5-11(12)6-10/h10-12,15H,4-9H2,1-3H3
InChIKeyWYQQQKBQZOSWKJ-UHFFFAOYSA-N
XLogP2.21
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 3-(2-bicyclo[2.2.1]heptanylmethylamino)-2,2-dimethylpropanoate with MolForge

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Related Compounds

N-(2-bicyclo[2.2.1]heptanylmethyl)-2-[(2-methylpropan-2-yl)oxy]ethanamine
CID 112589102
methyl 2,2-dimethyl-3-(thiolan-3-ylmethylamino)propanoate
CID 107167949
methyl 2,2-dimethyl-3-[(3-methylcyclohexyl)methylamino]propanoate
CID 102671236
N-(2-bicyclo[2.2.1]heptanylmethyl)-4-(2-methoxyethoxy)butan-1-amine
CID 104693936
4-(2-bicyclo[2.2.1]heptanylmethylamino)-2,2-dimethyl-4-oxobutanoic acid
CID 65299667
2-(2-bicyclo[2.2.1]heptanylmethyl)-1,1,1,3,3-pentafluoropropan-2-ol;methyl 2,2-dimethylbutanoate
CID 91160976
3-(2-bicyclo[2.2.1]heptanylmethylamino)-2-methylpropanoic acid
CID 63682304
2-(2-bicyclo[2.2.1]heptanylmethylamino)-N-(cyanomethyl)acetamide
CID 63682985
2-(2-bicyclo[2.2.1]heptanylmethylamino)-1-(4-methylpiperazin-1-yl)ethanone
CID 63681966
ethyl 3-(2-bicyclo[2.2.1]heptanylmethylamino)-2-methylpropanoate
CID 55232433
3-(2-bicyclo[2.2.1]heptanylmethylamino)-2-methylpropanamide
CID 63681793
2-(2-bicyclo[2.2.1]heptanylmethylamino)-N,N-diethylacetamide
CID 63683853

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-bicyclo[2.2.1]heptanylmethylamino)-2,2-dimethylpropanoate?
The IUPAC name of methyl 3-(2-bicyclo[2.2.1]heptanylmethylamino)-2,2-dimethylpropanoate (CID 79623458) is methyl 3-(2-bicyclo[2.2.1]heptanylmethylamino)-2,2-dimethylpropanoate.
What is the SMILES notation for methyl 3-(2-bicyclo[2.2.1]heptanylmethylamino)-2,2-dimethylpropanoate?
The canonical SMILES for methyl 3-(2-bicyclo[2.2.1]heptanylmethylamino)-2,2-dimethylpropanoate is COC(=O)C(C)(C)CNCC1CC2CCC1C2.
What is the InChIKey of methyl 3-(2-bicyclo[2.2.1]heptanylmethylamino)-2,2-dimethylpropanoate?
The InChIKey is WYQQQKBQZOSWKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-14(2,13(16)17-3)9-15-8-12-7-10-4-5-11(12)6-10/h10-12,15H,4-9H2,1-3H3.
What are the key properties of methyl 3-(2-bicyclo[2.2.1]heptanylmethylamino)-2,2-dimethylpropanoate?
methyl 3-(2-bicyclo[2.2.1]heptanylmethylamino)-2,2-dimethylpropanoate has a molecular weight of 239.36 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-bicyclo[2.2.1]heptanylmethylamino)-2,2-dimethylpropanoate is sourced from PubChem (CID 79623458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).