tert-butyl 2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]propanoate

C16H29NO2 — CID 66339070

IUPACtert-butyl 2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]propanoate
SMILESCC(C(=O)OC(C)(C)C)N(C)CC1CC2CCC1C2
InChIInChI=1S/C16H29NO2/c1-11(15(18)19-16(2,3)4)17(5)10-14-9-12-6-7-13(14)8-12/h11-14H,6-10H2,1-5H3
InChIKeyNERLGTUSJHZAMF-UHFFFAOYSA-N
MW267.41 g/mol
LogP3.08
Rot. Bonds4

About tert-butyl 2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]propanoate

tert-butyl 2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]propanoate (PubChem CID 66339070) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is tert-butyl 2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]propanoate.

Molecular Properties

Compound Nametert-butyl 2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]propanoate
PubChem CID66339070
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Nametert-butyl 2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]propanoate
SMILESCC(C(=O)OC(C)(C)C)N(C)CC1CC2CCC1C2
InChIInChI=1S/C16H29NO2/c1-11(15(18)19-16(2,3)4)17(5)10-14-9-12-6-7-13(14)8-12/h11-14H,6-10H2,1-5H3
InChIKeyNERLGTUSJHZAMF-UHFFFAOYSA-N
XLogP3.08
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]propanoate?
The IUPAC name of tert-butyl 2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]propanoate (CID 66339070) is tert-butyl 2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]propanoate.
What is the SMILES notation for tert-butyl 2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]propanoate?
The canonical SMILES for tert-butyl 2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]propanoate is CC(C(=O)OC(C)(C)C)N(C)CC1CC2CCC1C2.
What is the InChIKey of tert-butyl 2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]propanoate?
The InChIKey is NERLGTUSJHZAMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c1-11(15(18)19-16(2,3)4)17(5)10-14-9-12-6-7-13(14)8-12/h11-14H,6-10H2,1-5H3.
What are the key properties of tert-butyl 2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]propanoate?
tert-butyl 2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]propanoate has a molecular weight of 267.41 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]propanoate is sourced from PubChem (CID 66339070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).