tert-butyl 2-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]oxyacetate

C14H26N2O4 — CID 10085401

IUPACtert-butyl 2-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]oxyacetate
SMILESC[C@H](N)C(=O)N1CCC(OCC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H26N2O4/c1-10(15)13(18)16-7-5-11(6-8-16)19-9-12(17)20-14(2,3)4/h10-11H,5-9,15H2,1-4H3/t10-/m0/s1
InChIKeyTWSLFBZLLOZTCX-JTQLQIEISA-N
MW286.37 g/mol
LogP0.68
Rot. Bonds4

About tert-butyl 2-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]oxyacetate

tert-butyl 2-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]oxyacetate (PubChem CID 10085401) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is tert-butyl 2-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]oxyacetate.

Molecular Properties

Compound Nametert-butyl 2-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]oxyacetate
PubChem CID10085401
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Nametert-butyl 2-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]oxyacetate
SMILESC[C@H](N)C(=O)N1CCC(OCC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H26N2O4/c1-10(15)13(18)16-7-5-11(6-8-16)19-9-12(17)20-14(2,3)4/h10-11H,5-9,15H2,1-4H3/t10-/m0/s1
InChIKeyTWSLFBZLLOZTCX-JTQLQIEISA-N
XLogP0.68
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl N-(L-alanyl)-4-piperidinyloxy-acetate trifluoroacetate
CID 22880364
[[(2S)-1-[4-(2-methoxy-2-oxoethoxy)piperidin-1-yl]-1-oxopropan-2-yl]amino] 2,2,2-trifluoroacetate
CID 57029767
2-[1-(2-Amino-3,3,3-trifluoro-2-methylpropanoyl)piperidin-4-yl]oxyacetic acid
CID 79810798
tert-butyl (3S)-3-amino-4-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]piperidin-1-yl]-4-oxobutanoate
CID 9977441
Tert-butyl 2-[1-(2-aminoacetyl)piperidin-4-yl]oxyacetate
CID 10333439
tert-butyl 2-[1-[(2S)-2-amino-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]piperidin-4-yl]oxyacetate
CID 10455327
2-[1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]piperidin-4-yl]oxyacetic acid
CID 18335634
Tert-butyl 2-[1-[2-(2-methoxyethylamino)acetyl]piperidin-4-yl]oxyacetate
CID 18925471
Tert-butyl 3-amino-4-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]piperidin-1-yl]-4-oxobutanoate
CID 18925477
2-[1-(2-Aminopropanoyl)piperidin-4-yl]oxyacetic acid
CID 22665771
[1-[4-[2-[(2-Methylpropan-2-yl)oxy]-2-oxoethoxy]piperidin-1-yl]-1-oxopropan-2-yl]carbamic acid
CID 22665921
methyl 2-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]oxyacetate
CID 22880365

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]oxyacetate?
The IUPAC name of tert-butyl 2-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]oxyacetate (CID 10085401) is tert-butyl 2-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]oxyacetate.
What is the SMILES notation for tert-butyl 2-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]oxyacetate?
The canonical SMILES for tert-butyl 2-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]oxyacetate is C[C@H](N)C(=O)N1CCC(OCC(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 2-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]oxyacetate?
The InChIKey is TWSLFBZLLOZTCX-JTQLQIEISA-N. The full InChI is InChI=1S/C14H26N2O4/c1-10(15)13(18)16-7-5-11(6-8-16)19-9-12(17)20-14(2,3)4/h10-11H,5-9,15H2,1-4H3/t10-/m0/s1.
What are the key properties of tert-butyl 2-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]oxyacetate?
tert-butyl 2-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]oxyacetate has a molecular weight of 286.37 g/mol, XLogP of 0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]oxyacetate is sourced from PubChem (CID 10085401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).