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

C11H22N2O2 — CID 86307985

IUPACtert-butyl (2R)-2-amino-2-[(3R)-piperidin-3-yl]acetate
SMILESCC(C)(C)OC(=O)[C@H](N)[C@@H]1CCCNC1
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/t8-,9-/m1/s1
InChIKeyIUEZPMQGUVYLKP-RKDXNWHRSA-N
MW214.31 g/mol
LogP0.65
Rot. Bonds2

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

tert-butyl (2R)-2-amino-2-[(3R)-piperidin-3-yl]acetate (PubChem CID 86307985) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is tert-butyl (2R)-2-amino-2-[(3R)-piperidin-3-yl]acetate.

Molecular Properties

Compound Nametert-butyl (2R)-2-amino-2-[(3R)-piperidin-3-yl]acetate
PubChem CID86307985
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Nametert-butyl (2R)-2-amino-2-[(3R)-piperidin-3-yl]acetate
SMILESCC(C)(C)OC(=O)[C@H](N)[C@@H]1CCCNC1
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/t8-,9-/m1/s1
InChIKeyIUEZPMQGUVYLKP-RKDXNWHRSA-N
XLogP0.65
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-piperidin-3-ylacetate
CID 133063896
1-amino-1-piperidin-3-ylpropan-2-one
CID 129030594
tert-butyl 2-amino-3-piperidin-3-ylpropanoate
CID 57429451
tert-butyl (2S)-2-amino-2-[(3R)-piperidin-1-ium-3-yl]acetate
CID 86307986
tert-butyl N-[azetidin-3-yl(piperidin-3-yl)methyl]carbamate
CID 52911112
tert-butyl N-ethyl-N-(2-methyl-1-piperidin-3-ylpropyl)carbamate
CID 50987936
ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-piperidin-3-ylacetate
CID 133061149
tert-butyl 2-cyclopentylpropanoate
CID 142496420
2,2-dimethyl-1-piperidin-3-ylpropan-1-amine
CID 116935763
tert-butyl 2-amino-2-(4,4-dimethylcyclohexyl)acetate
CID 167731611
methyl 3-methyl-2-piperidin-3-ylbutanoate
CID 83880549
3-piperidin-3-ylbutanoic acid
CID 71691534

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-amino-2-[(3R)-piperidin-3-yl]acetate?
The IUPAC name of tert-butyl (2R)-2-amino-2-[(3R)-piperidin-3-yl]acetate (CID 86307985) is tert-butyl (2R)-2-amino-2-[(3R)-piperidin-3-yl]acetate.
What is the SMILES notation for tert-butyl (2R)-2-amino-2-[(3R)-piperidin-3-yl]acetate?
The canonical SMILES for tert-butyl (2R)-2-amino-2-[(3R)-piperidin-3-yl]acetate is CC(C)(C)OC(=O)[C@H](N)[C@@H]1CCCNC1.
What is the InChIKey of tert-butyl (2R)-2-amino-2-[(3R)-piperidin-3-yl]acetate?
The InChIKey is IUEZPMQGUVYLKP-RKDXNWHRSA-N. 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/t8-,9-/m1/s1.
What are the key properties of tert-butyl (2R)-2-amino-2-[(3R)-piperidin-3-yl]acetate?
tert-butyl (2R)-2-amino-2-[(3R)-piperidin-3-yl]acetate has a molecular weight of 214.31 g/mol, XLogP of 0.65, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-amino-2-[(3R)-piperidin-3-yl]acetate is sourced from PubChem (CID 86307985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).