tert-butyl 2-[[(2R)-2-hydroxypropyl]-piperidin-4-ylamino]acetate

C14H28N2O3 — CID 69373448

IUPACtert-butyl 2-[[(2R)-2-hydroxypropyl]-piperidin-4-ylamino]acetate
SMILESC[C@@H](O)CN(CC(=O)OC(C)(C)C)C1CCNCC1
InChIInChI=1S/C14H28N2O3/c1-11(17)9-16(12-5-7-15-8-6-12)10-13(18)19-14(2,3)4/h11-12,15,17H,5-10H2,1-4H3/t11-/m1/s1
InChIKeyYDRIYSNRCVNOQJ-LLVKDONJSA-N
MW272.39 g/mol
LogP0.76
Rot. Bonds5

About tert-butyl 2-[[(2R)-2-hydroxypropyl]-piperidin-4-ylamino]acetate

tert-butyl 2-[[(2R)-2-hydroxypropyl]-piperidin-4-ylamino]acetate (PubChem CID 69373448) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is tert-butyl 2-[[(2R)-2-hydroxypropyl]-piperidin-4-ylamino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[[(2R)-2-hydroxypropyl]-piperidin-4-ylamino]acetate
PubChem CID69373448
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Nametert-butyl 2-[[(2R)-2-hydroxypropyl]-piperidin-4-ylamino]acetate
SMILESC[C@@H](O)CN(CC(=O)OC(C)(C)C)C1CCNCC1
InChIInChI=1S/C14H28N2O3/c1-11(17)9-16(12-5-7-15-8-6-12)10-13(18)19-14(2,3)4/h11-12,15,17H,5-10H2,1-4H3/t11-/m1/s1
InChIKeyYDRIYSNRCVNOQJ-LLVKDONJSA-N
XLogP0.76
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl 2-[[(2R)-2-hydroxypropyl]-piperidin-4-ylamino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[(2R)-2-hydroxypropyl]-piperidin-4-ylamino]acetate?
The IUPAC name of tert-butyl 2-[[(2R)-2-hydroxypropyl]-piperidin-4-ylamino]acetate (CID 69373448) is tert-butyl 2-[[(2R)-2-hydroxypropyl]-piperidin-4-ylamino]acetate.
What is the SMILES notation for tert-butyl 2-[[(2R)-2-hydroxypropyl]-piperidin-4-ylamino]acetate?
The canonical SMILES for tert-butyl 2-[[(2R)-2-hydroxypropyl]-piperidin-4-ylamino]acetate is C[C@@H](O)CN(CC(=O)OC(C)(C)C)C1CCNCC1.
What is the InChIKey of tert-butyl 2-[[(2R)-2-hydroxypropyl]-piperidin-4-ylamino]acetate?
The InChIKey is YDRIYSNRCVNOQJ-LLVKDONJSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-11(17)9-16(12-5-7-15-8-6-12)10-13(18)19-14(2,3)4/h11-12,15,17H,5-10H2,1-4H3/t11-/m1/s1.
What are the key properties of tert-butyl 2-[[(2R)-2-hydroxypropyl]-piperidin-4-ylamino]acetate?
tert-butyl 2-[[(2R)-2-hydroxypropyl]-piperidin-4-ylamino]acetate has a molecular weight of 272.39 g/mol, XLogP of 0.76, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[[(2R)-2-hydroxypropyl]-piperidin-4-ylamino]acetate is sourced from PubChem (CID 69373448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).