methyl 2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]propanoate

C13H24N2O2 — CID 66173751

IUPACmethyl 2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]propanoate
SMILESCOC(=O)C(C)NCC1CC2CCC(C1)N2C
InChIInChI=1S/C13H24N2O2/c1-9(13(16)17-3)14-8-10-6-11-4-5-12(7-10)15(11)2/h9-12,14H,4-8H2,1-3H3
InChIKeyPNHNWXLWZISFTL-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.01
Rot. Bonds4

About methyl 2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]propanoate

methyl 2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]propanoate (PubChem CID 66173751) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is methyl 2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]propanoate.

Molecular Properties

Compound Namemethyl 2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]propanoate
PubChem CID66173751
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Namemethyl 2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]propanoate
SMILESCOC(=O)C(C)NCC1CC2CCC(C1)N2C
InChIInChI=1S/C13H24N2O2/c1-9(13(16)17-3)14-8-10-6-11-4-5-12(7-10)15(11)2/h9-12,14H,4-8H2,1-3H3
InChIKeyPNHNWXLWZISFTL-UHFFFAOYSA-N
XLogP1.01
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]propanoate with MolForge

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Related Compounds

methyl 2-(cyclopropylmethylamino)propanoate
CID 60780744
methyl 2-(oxan-4-ylmethylamino)propanoate
CID 62385686
1-cyclopropyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]methanamine
CID 61013267
(2S)-2-amino-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]propanamide
CID 61149354
2-amino-N-[[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methyl]acetamide
CID 51891967
methyl 2-[(1-methylpyrrolidin-2-yl)methylamino]propanoate
CID 106020086
(2S)-2-amino-3-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pentanamide
CID 61173579
methyl (2S)-2-(piperidin-3-ylmethylamino)propanoate
CID 80554034
2-(cyclohexylmethylamino)propanamide
CID 43216154
methyl 2-(2,2-dihydroxyethylamino)propanoate
CID 150482479
2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]propanamide
CID 43545311
4-[[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]methyl]benzamide
CID 61013401

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]propanoate?
The IUPAC name of methyl 2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]propanoate (CID 66173751) is methyl 2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]propanoate.
What is the SMILES notation for methyl 2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]propanoate?
The canonical SMILES for methyl 2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]propanoate is COC(=O)C(C)NCC1CC2CCC(C1)N2C.
What is the InChIKey of methyl 2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]propanoate?
The InChIKey is PNHNWXLWZISFTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-9(13(16)17-3)14-8-10-6-11-4-5-12(7-10)15(11)2/h9-12,14H,4-8H2,1-3H3.
What are the key properties of methyl 2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]propanoate?
methyl 2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]propanoate has a molecular weight of 240.35 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]propanoate is sourced from PubChem (CID 66173751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).