ethyl 3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]butanoate

C15H27NO2 — CID 63683321

IUPACethyl 3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]butanoate
SMILESCCOC(=O)CC(C)N(C)CC1CC2CCC1C2
InChIInChI=1S/C15H27NO2/c1-4-18-15(17)7-11(2)16(3)10-14-9-12-5-6-13(14)8-12/h11-14H,4-10H2,1-3H3
InChIKeyXDTRNXAJBCVDEZ-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.70
Rot. Bonds6

About ethyl 3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]butanoate

ethyl 3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]butanoate (PubChem CID 63683321) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is ethyl 3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]butanoate.

Molecular Properties

Compound Nameethyl 3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]butanoate
PubChem CID63683321
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Nameethyl 3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]butanoate
SMILESCCOC(=O)CC(C)N(C)CC1CC2CCC1C2
InChIInChI=1S/C15H27NO2/c1-4-18-15(17)7-11(2)16(3)10-14-9-12-5-6-13(14)8-12/h11-14H,4-10H2,1-3H3
InChIKeyXDTRNXAJBCVDEZ-UHFFFAOYSA-N
XLogP2.70
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]butanimidamide
CID 63683483
ethyl 2-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetate
CID 10655027
2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]butanamide
CID 63682682
tert-butyl 2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]propanoate
CID 66339070
ethyl 3-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]propanoate
CID 98287617
4-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-methoxy-N-methylbutanamide
CID 103155894
3-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N,3-N-dimethylbutane-1,3-diamine
CID 63681872
ethyl 3-[methyl(oxan-4-ylmethyl)amino]butanoate
CID 63711538
2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methylbutanamide
CID 63683674
3-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N-ethyl-3-N-methylbutane-1,3-diamine
CID 63682552
ethyl 2-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1,3-thiazol-4-yl]acetate
CID 80574960
3-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N-cyclopropyl-3-N-methylbutane-1,3-diamine
CID 63681876

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]butanoate?
The IUPAC name of ethyl 3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]butanoate (CID 63683321) is ethyl 3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]butanoate.
What is the SMILES notation for ethyl 3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]butanoate?
The canonical SMILES for ethyl 3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]butanoate is CCOC(=O)CC(C)N(C)CC1CC2CCC1C2.
What is the InChIKey of ethyl 3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]butanoate?
The InChIKey is XDTRNXAJBCVDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-4-18-15(17)7-11(2)16(3)10-14-9-12-5-6-13(14)8-12/h11-14H,4-10H2,1-3H3.
What are the key properties of ethyl 3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]butanoate?
ethyl 3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]butanoate has a molecular weight of 253.39 g/mol, XLogP of 2.70, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]butanoate is sourced from PubChem (CID 63683321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).