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

C11H21NO3 — CID 86330307

IUPACtert-butyl (2R)-2-hydroxy-2-[(2R)-piperidin-2-yl]acetate
SMILESCC(C)(C)OC(=O)[C@H](O)[C@H]1CCCCN1
InChIInChI=1S/C11H21NO3/c1-11(2,3)15-10(14)9(13)8-6-4-5-7-12-8/h8-9,12-13H,4-7H2,1-3H3/t8-,9-/m1/s1
InChIKeyBBWPENHUNUJQKV-RKDXNWHRSA-N
MW215.29 g/mol
LogP0.83
Rot. Bonds2

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

tert-butyl (2R)-2-hydroxy-2-[(2R)-piperidin-2-yl]acetate (PubChem CID 86330307) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is tert-butyl (2R)-2-hydroxy-2-[(2R)-piperidin-2-yl]acetate.

Molecular Properties

Compound Nametert-butyl (2R)-2-hydroxy-2-[(2R)-piperidin-2-yl]acetate
PubChem CID86330307
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Nametert-butyl (2R)-2-hydroxy-2-[(2R)-piperidin-2-yl]acetate
SMILESCC(C)(C)OC(=O)[C@H](O)[C@H]1CCCCN1
InChIInChI=1S/C11H21NO3/c1-11(2,3)15-10(14)9(13)8-6-4-5-7-12-8/h8-9,12-13H,4-7H2,1-3H3/t8-,9-/m1/s1
InChIKeyBBWPENHUNUJQKV-RKDXNWHRSA-N
XLogP0.83
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (2S)-2-(azetidin-2-yl)-2-hydroxyacetate
CID 67425861
tert-butyl (2S)-2-[[2-hydroxy-2-[(2S)-pyrrolidin-2-yl]acetyl]amino]-4-methylpentanoate
CID 10757659
tert-butyl (2S)-3-methyl-2-[[(2S)-piperidine-2-carbonyl]amino]butanoate
CID 11778633
tert-butyl N-(4,4-dimethyl-2-piperidin-2-ylpentyl)carbamate
CID 54593220
tert-butyl N-[(2R)-4,4-dimethyl-2-[(2S)-piperidin-2-yl]pentyl]carbamate
CID 95241678
tert-butyl formate;1-piperidin-2-ylethanol
CID 174623735
tert-butyl (2R)-pyrrolidine-2-carboxylate
CID 6931635
tert-butyl N-[(1S,2S,3S)-1,2-dihydroxy-4-methyl-1-[(2S)-pyrrolidin-2-yl]pentan-3-yl]carbamate
CID 101346841
4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxo-1-pyrrolidin-2-ylethyl]amino]benzoic acid
CID 69333324
ethyl 3-piperidin-2-ylpentanoate
CID 67315004
tert-butyl carbamate;methanol;pyrrolidine-2-carbaldehyde
CID 171093384
[(1R,2S)-1-cyclohexyl-1-hydroxy-3-[(2-methylpropan-2-yl)oxy]-3-oxopropan-2-yl]-dimethylsulfanium
CID 11372296

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-hydroxy-2-[(2R)-piperidin-2-yl]acetate?
The IUPAC name of tert-butyl (2R)-2-hydroxy-2-[(2R)-piperidin-2-yl]acetate (CID 86330307) is tert-butyl (2R)-2-hydroxy-2-[(2R)-piperidin-2-yl]acetate.
What is the SMILES notation for tert-butyl (2R)-2-hydroxy-2-[(2R)-piperidin-2-yl]acetate?
The canonical SMILES for tert-butyl (2R)-2-hydroxy-2-[(2R)-piperidin-2-yl]acetate is CC(C)(C)OC(=O)[C@H](O)[C@H]1CCCCN1.
What is the InChIKey of tert-butyl (2R)-2-hydroxy-2-[(2R)-piperidin-2-yl]acetate?
The InChIKey is BBWPENHUNUJQKV-RKDXNWHRSA-N. The full InChI is InChI=1S/C11H21NO3/c1-11(2,3)15-10(14)9(13)8-6-4-5-7-12-8/h8-9,12-13H,4-7H2,1-3H3/t8-,9-/m1/s1.
What are the key properties of tert-butyl (2R)-2-hydroxy-2-[(2R)-piperidin-2-yl]acetate?
tert-butyl (2R)-2-hydroxy-2-[(2R)-piperidin-2-yl]acetate has a molecular weight of 215.29 g/mol, XLogP of 0.83, 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-hydroxy-2-[(2R)-piperidin-2-yl]acetate is sourced from PubChem (CID 86330307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).