tert-butyl 2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]acetate

C15H28N2O2 — CID 61230595

IUPACtert-butyl 2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]acetate
SMILESCCN(CC(=O)OC(C)(C)C)C1CC2CCC(C1)N2
InChIInChI=1S/C15H28N2O2/c1-5-17(10-14(18)19-15(2,3)4)13-8-11-6-7-12(9-13)16-11/h11-13,16H,5-10H2,1-4H3
InChIKeyPIHYAJCLTMXONS-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.93
Rot. Bonds4

About tert-butyl 2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]acetate

tert-butyl 2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]acetate (PubChem CID 61230595) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is tert-butyl 2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]acetate
PubChem CID61230595
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Nametert-butyl 2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]acetate
SMILESCCN(CC(=O)OC(C)(C)C)C1CC2CCC(C1)N2
InChIInChI=1S/C15H28N2O2/c1-5-17(10-14(18)19-15(2,3)4)13-8-11-6-7-12(9-13)16-11/h11-13,16H,5-10H2,1-4H3
InChIKeyPIHYAJCLTMXONS-UHFFFAOYSA-N
XLogP1.93
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]acetate
CID 61232424
tert-butyl 2-[(3-aminocyclobutyl)-ethylamino]acetate
CID 86775203
tert-butyl 2-[cyclopentyl(ethyl)amino]acetate
CID 137320187
2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-N-ethyl-N-methylacetamide
CID 61230973
N-ethyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 112590844
ethyl N-[2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]acetyl]carbamate
CID 61231344
N-(2,3-dichloroprop-2-enyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 79173476
N-(cyclopropylmethyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61233017
tert-butyl 2-[ethyl-[(3S)-2-oxopyrrolidin-3-yl]amino]acetate
CID 129359149
3-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-N,N-dimethylpropanamide
CID 61231741
tert-butyl 2-[[(1S,2S)-2-[[(1S,2S)-2-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]cyclohexyl]-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]cyclohexyl]-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetate
CID 54539679
1-(8-azabicyclo[3.2.1]octan-3-yl)-1,3,3-triethylurea
CID 79161480

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]acetate?
The IUPAC name of tert-butyl 2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]acetate (CID 61230595) is tert-butyl 2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]acetate.
What is the SMILES notation for tert-butyl 2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]acetate?
The canonical SMILES for tert-butyl 2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]acetate is CCN(CC(=O)OC(C)(C)C)C1CC2CCC(C1)N2.
What is the InChIKey of tert-butyl 2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]acetate?
The InChIKey is PIHYAJCLTMXONS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-5-17(10-14(18)19-15(2,3)4)13-8-11-6-7-12(9-13)16-11/h11-13,16H,5-10H2,1-4H3.
What are the key properties of tert-butyl 2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]acetate?
tert-butyl 2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]acetate has a molecular weight of 268.40 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]acetate is sourced from PubChem (CID 61230595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).