tert-butyl (2S)-2-amino-2-[(3R)-piperidin-1-ium-3-yl]acetate

C11H23N2O2+ — CID 86307986

IUPACtert-butyl (2S)-2-amino-2-[(3R)-piperidin-1-ium-3-yl]acetate
SMILESCC(C)(C)OC(=O)[C@@H](N)[C@@H]1CCC[NH2+]C1
InChIInChI=1S/C11H22N2O2/c1-11(2,3)15-10(14)9(12)8-5-4-6-13-7-8/h8-9,13H,4-7,12H2,1-3H3/p+1/t8-,9+/m1/s1
InChIKeyIUEZPMQGUVYLKP-BDAKNGLRSA-O
MW215.32 g/mol
LogP-0.37
Rot. Bonds2

About tert-butyl (2S)-2-amino-2-[(3R)-piperidin-1-ium-3-yl]acetate

tert-butyl (2S)-2-amino-2-[(3R)-piperidin-1-ium-3-yl]acetate (PubChem CID 86307986) has the molecular formula C11H23N2O2+ and a molecular weight of 215.32 g/mol. Its IUPAC name is tert-butyl (2S)-2-amino-2-[(3R)-piperidin-1-ium-3-yl]acetate.

Molecular Properties

Compound Nametert-butyl (2S)-2-amino-2-[(3R)-piperidin-1-ium-3-yl]acetate
PubChem CID86307986
Molecular FormulaC11H23N2O2+
Molecular Weight215.32 g/mol
Exact Mass215.18
IUPAC Nametert-butyl (2S)-2-amino-2-[(3R)-piperidin-1-ium-3-yl]acetate
SMILESCC(C)(C)OC(=O)[C@@H](N)[C@@H]1CCC[NH2+]C1
InChIInChI=1S/C11H22N2O2/c1-11(2,3)15-10(14)9(12)8-5-4-6-13-7-8/h8-9,13H,4-7,12H2,1-3H3/p+1/t8-,9+/m1/s1
InChIKeyIUEZPMQGUVYLKP-BDAKNGLRSA-O
XLogP-0.37
TPSA68.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 2-amino-2-(4,4-dimethylcyclohexyl)acetate
CID 167731611
tert-butyl (2R)-2-amino-2-[(3R)-piperidin-3-yl]acetate
CID 86307985
tert-butyl 2-cyclopentylpropanoate
CID 142496420
2-[amino(cyclopentyl)methyl]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid
CID 174534601
tert-butyl 3-cycloheptyl-3-hydroxy-2-methylpropanoate
CID 66338919
tert-butyl (2S)-2-[amino(cyclohexyl)methyl]-3,4,5-trihydroxy-6-methylheptanoate
CID 70042527
tert-butyl 2-amino-2-[3-(aminomethyl)cyclopentyl]acetate
CID 57198840
tert-butyl 5-(1-aminoethyl)azocane-1-carboxylate
CID 166746033
[(1R,2S)-1-cyclohexyl-1-hydroxy-3-[(2-methylpropan-2-yl)oxy]-3-oxopropan-2-yl]-dimethylsulfanium
CID 11372296
tert-butyl 2-(3-aminocyclohexyl)propanoate
CID 163419841
tert-butyl (2S)-2-(cyclobutylamino)propanoate
CID 57051933
tert-butyl 2-(cyclobutylamino)propanoate
CID 66339057

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-amino-2-[(3R)-piperidin-1-ium-3-yl]acetate?
The IUPAC name of tert-butyl (2S)-2-amino-2-[(3R)-piperidin-1-ium-3-yl]acetate (CID 86307986) is tert-butyl (2S)-2-amino-2-[(3R)-piperidin-1-ium-3-yl]acetate.
What is the SMILES notation for tert-butyl (2S)-2-amino-2-[(3R)-piperidin-1-ium-3-yl]acetate?
The canonical SMILES for tert-butyl (2S)-2-amino-2-[(3R)-piperidin-1-ium-3-yl]acetate is CC(C)(C)OC(=O)[C@@H](N)[C@@H]1CCC[NH2+]C1.
What is the InChIKey of tert-butyl (2S)-2-amino-2-[(3R)-piperidin-1-ium-3-yl]acetate?
The InChIKey is IUEZPMQGUVYLKP-BDAKNGLRSA-O. The full InChI is InChI=1S/C11H22N2O2/c1-11(2,3)15-10(14)9(12)8-5-4-6-13-7-8/h8-9,13H,4-7,12H2,1-3H3/p+1/t8-,9+/m1/s1.
What are the key properties of tert-butyl (2S)-2-amino-2-[(3R)-piperidin-1-ium-3-yl]acetate?
tert-butyl (2S)-2-amino-2-[(3R)-piperidin-1-ium-3-yl]acetate has a molecular weight of 215.32 g/mol, XLogP of -0.37, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-amino-2-[(3R)-piperidin-1-ium-3-yl]acetate is sourced from PubChem (CID 86307986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).