tert-butyl 2-amino-2-(4-hydroxypiperidin-4-yl)acetate

C11H22N2O3 — CID 69414376

IUPACtert-butyl 2-amino-2-(4-hydroxypiperidin-4-yl)acetate
SMILESCC(C)(C)OC(=O)C(N)C1(O)CCNCC1
InChIInChI=1S/C11H22N2O3/c1-10(2,3)16-9(14)8(12)11(15)4-6-13-7-5-11/h8,13,15H,4-7,12H2,1-3H3
InChIKeyPPQQENXPNJQYCC-UHFFFAOYSA-N
MW230.31 g/mol
LogP-0.23
Rot. Bonds2

About tert-butyl 2-amino-2-(4-hydroxypiperidin-4-yl)acetate

tert-butyl 2-amino-2-(4-hydroxypiperidin-4-yl)acetate (PubChem CID 69414376) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is tert-butyl 2-amino-2-(4-hydroxypiperidin-4-yl)acetate.

Molecular Properties

Compound Nametert-butyl 2-amino-2-(4-hydroxypiperidin-4-yl)acetate
PubChem CID69414376
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Nametert-butyl 2-amino-2-(4-hydroxypiperidin-4-yl)acetate
SMILESCC(C)(C)OC(=O)C(N)C1(O)CCNCC1
InChIInChI=1S/C11H22N2O3/c1-10(2,3)16-9(14)8(12)11(15)4-6-13-7-5-11/h8,13,15H,4-7,12H2,1-3H3
InChIKeyPPQQENXPNJQYCC-UHFFFAOYSA-N
XLogP-0.23
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 2-amino-2-(1-benzyl-4-hydroxypiperidin-4-yl)acetate
CID 69414976
tert-butyl (2S)-2-amino-2-(1-phenylcyclopropyl)acetate
CID 175653869
methyl 2-(4-hydroxypiperidin-4-yl)butanoate
CID 62395277
tert-butyl 2,7-diazaspiro[3.5]nonane-2-carboxylate;ethane
CID 168901437
tert-butyl 2-[(4-amino-5-chloro-1-benzofuran-7-carbonyl)amino]-2-(4-hydroxypiperidin-4-yl)acetate
CID 175055665
[1-(4-hydroxypiperidin-4-yl)-2,2-dimethylpropyl]-methylcarbamic acid
CID 175491966
4-propan-2-ylpiperidin-4-ol;2,2,2-trifluoroacetic acid
CID 68600448
tert-butyl N-[[4-(hydroxymethyl)piperidin-4-yl]methyl]carbamate;hydrochloride
CID 163332476
tert-butyl N-(8-azaspiro[4.5]decan-4-yl)carbamate
CID 127264221
tert-butyl 2-amino-2-(4,4-dimethylcyclohexyl)acetate
CID 167731611
tert-butyl (2S)-2-aminopropanoate;dihydrochloride
CID 142726161
tert-butyl (2S)-2-bromopropanoate
CID 12882378

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-amino-2-(4-hydroxypiperidin-4-yl)acetate?
The IUPAC name of tert-butyl 2-amino-2-(4-hydroxypiperidin-4-yl)acetate (CID 69414376) is tert-butyl 2-amino-2-(4-hydroxypiperidin-4-yl)acetate.
What is the SMILES notation for tert-butyl 2-amino-2-(4-hydroxypiperidin-4-yl)acetate?
The canonical SMILES for tert-butyl 2-amino-2-(4-hydroxypiperidin-4-yl)acetate is CC(C)(C)OC(=O)C(N)C1(O)CCNCC1.
What is the InChIKey of tert-butyl 2-amino-2-(4-hydroxypiperidin-4-yl)acetate?
The InChIKey is PPQQENXPNJQYCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-10(2,3)16-9(14)8(12)11(15)4-6-13-7-5-11/h8,13,15H,4-7,12H2,1-3H3.
What are the key properties of tert-butyl 2-amino-2-(4-hydroxypiperidin-4-yl)acetate?
tert-butyl 2-amino-2-(4-hydroxypiperidin-4-yl)acetate has a molecular weight of 230.31 g/mol, XLogP of -0.23, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-amino-2-(4-hydroxypiperidin-4-yl)acetate is sourced from PubChem (CID 69414376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).