tert-butyl N-[3-hydroxy-1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]carbamate

C13H24N2O5 — CID 57035940

IUPACtert-butyl N-[3-hydroxy-1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC(CO)C(=O)N1CCC(O)CC1
InChIInChI=1S/C13H24N2O5/c1-13(2,3)20-12(19)14-10(8-16)11(18)15-6-4-9(17)5-7-15/h9-10,16-17H,4-8H2,1-3H3,(H,14,19)
InChIKeyARJZKAZDOZGXHB-UHFFFAOYSA-N
MW288.34 g/mol
LogP-0.14
Rot. Bonds3

About tert-butyl N-[3-hydroxy-1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]carbamate

tert-butyl N-[3-hydroxy-1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]carbamate (PubChem CID 57035940) has the molecular formula C13H24N2O5 and a molecular weight of 288.34 g/mol. Its IUPAC name is tert-butyl N-[3-hydroxy-1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-hydroxy-1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]carbamate
PubChem CID57035940
Molecular FormulaC13H24N2O5
Molecular Weight288.34 g/mol
Exact Mass288.17
IUPAC Nametert-butyl N-[3-hydroxy-1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC(CO)C(=O)N1CCC(O)CC1
InChIInChI=1S/C13H24N2O5/c1-13(2,3)20-12(19)14-10(8-16)11(18)15-6-4-9(17)5-7-15/h9-10,16-17H,4-8H2,1-3H3,(H,14,19)
InChIKeyARJZKAZDOZGXHB-UHFFFAOYSA-N
XLogP-0.14
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-hydroxy-1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[3-hydroxy-1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]carbamate (CID 57035940) is tert-butyl N-[3-hydroxy-1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[3-hydroxy-1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[3-hydroxy-1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]carbamate is CC(C)(C)OC(=O)NC(CO)C(=O)N1CCC(O)CC1.
What is the InChIKey of tert-butyl N-[3-hydroxy-1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]carbamate?
The InChIKey is ARJZKAZDOZGXHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O5/c1-13(2,3)20-12(19)14-10(8-16)11(18)15-6-4-9(17)5-7-15/h9-10,16-17H,4-8H2,1-3H3,(H,14,19).
What are the key properties of tert-butyl N-[3-hydroxy-1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]carbamate?
tert-butyl N-[3-hydroxy-1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]carbamate has a molecular weight of 288.34 g/mol, XLogP of -0.14, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-hydroxy-1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 57035940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).