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

C15H28N2O4 — CID 54420290

IUPACtert-butyl 2-[1-[(2S)-2-aminobutanoyl]piperidin-4-yl]oxyacetate
SMILESCC[C@H](N)C(=O)N1CCC(OCC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H28N2O4/c1-5-12(16)14(19)17-8-6-11(7-9-17)20-10-13(18)21-15(2,3)4/h11-12H,5-10,16H2,1-4H3/t12-/m0/s1
InChIKeyWAHUMFGQFYDUNS-LBPRGKRZSA-N
MW300.40 g/mol
LogP1.07
Rot. Bonds5

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

tert-butyl 2-[1-[(2S)-2-aminobutanoyl]piperidin-4-yl]oxyacetate (PubChem CID 54420290) has the molecular formula C15H28N2O4 and a molecular weight of 300.40 g/mol. Its IUPAC name is tert-butyl 2-[1-[(2S)-2-aminobutanoyl]piperidin-4-yl]oxyacetate.

Molecular Properties

Compound Nametert-butyl 2-[1-[(2S)-2-aminobutanoyl]piperidin-4-yl]oxyacetate
PubChem CID54420290
Molecular FormulaC15H28N2O4
Molecular Weight300.40 g/mol
Exact Mass300.20
IUPAC Nametert-butyl 2-[1-[(2S)-2-aminobutanoyl]piperidin-4-yl]oxyacetate
SMILESCC[C@H](N)C(=O)N1CCC(OCC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H28N2O4/c1-5-12(16)14(19)17-8-6-11(7-9-17)20-10-13(18)21-15(2,3)4/h11-12H,5-10,16H2,1-4H3/t12-/m0/s1
InChIKeyWAHUMFGQFYDUNS-LBPRGKRZSA-N
XLogP1.07
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[1-[(2S)-2-aminobutanoyl]piperidin-4-yl]oxyacetate?
The IUPAC name of tert-butyl 2-[1-[(2S)-2-aminobutanoyl]piperidin-4-yl]oxyacetate (CID 54420290) is tert-butyl 2-[1-[(2S)-2-aminobutanoyl]piperidin-4-yl]oxyacetate.
What is the SMILES notation for tert-butyl 2-[1-[(2S)-2-aminobutanoyl]piperidin-4-yl]oxyacetate?
The canonical SMILES for tert-butyl 2-[1-[(2S)-2-aminobutanoyl]piperidin-4-yl]oxyacetate is CC[C@H](N)C(=O)N1CCC(OCC(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 2-[1-[(2S)-2-aminobutanoyl]piperidin-4-yl]oxyacetate?
The InChIKey is WAHUMFGQFYDUNS-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H28N2O4/c1-5-12(16)14(19)17-8-6-11(7-9-17)20-10-13(18)21-15(2,3)4/h11-12H,5-10,16H2,1-4H3/t12-/m0/s1.
What are the key properties of tert-butyl 2-[1-[(2S)-2-aminobutanoyl]piperidin-4-yl]oxyacetate?
tert-butyl 2-[1-[(2S)-2-aminobutanoyl]piperidin-4-yl]oxyacetate has a molecular weight of 300.40 g/mol, XLogP of 1.07, 5 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-aminobutanoyl]piperidin-4-yl]oxyacetate is sourced from PubChem (CID 54420290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).