tert-butyl (2S)-2-[(3S)-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopiperazin-1-yl]propanoate

C17H30N2O5 — CID 10736086

IUPACtert-butyl (2S)-2-[(3S)-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopiperazin-1-yl]propanoate
SMILESC[C@@H](C(=O)OC(C)(C)C)N1CCN[C@@H](CC(=O)OC(C)(C)C)C1=O
InChIInChI=1S/C17H30N2O5/c1-11(15(22)24-17(5,6)7)19-9-8-18-12(14(19)21)10-13(20)23-16(2,3)4/h11-12,18H,8-10H2,1-7H3/t11-,12-/m0/s1
InChIKeyJTXJCZQCMSHEBU-RYUDHWBXSA-N
MW342.44 g/mol
LogP1.25
Rot. Bonds4

About tert-butyl (2S)-2-[(3S)-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopiperazin-1-yl]propanoate

tert-butyl (2S)-2-[(3S)-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopiperazin-1-yl]propanoate (PubChem CID 10736086) has the molecular formula C17H30N2O5 and a molecular weight of 342.44 g/mol. Its IUPAC name is tert-butyl (2S)-2-[(3S)-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopiperazin-1-yl]propanoate.

Molecular Properties

Compound Nametert-butyl (2S)-2-[(3S)-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopiperazin-1-yl]propanoate
PubChem CID10736086
Molecular FormulaC17H30N2O5
Molecular Weight342.44 g/mol
Exact Mass342.22
IUPAC Nametert-butyl (2S)-2-[(3S)-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopiperazin-1-yl]propanoate
SMILESC[C@@H](C(=O)OC(C)(C)C)N1CCN[C@@H](CC(=O)OC(C)(C)C)C1=O
InChIInChI=1S/C17H30N2O5/c1-11(15(22)24-17(5,6)7)19-9-8-18-12(14(19)21)10-13(20)23-16(2,3)4/h11-12,18H,8-10H2,1-7H3/t11-,12-/m0/s1
InChIKeyJTXJCZQCMSHEBU-RYUDHWBXSA-N
XLogP1.25
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-[(3S)-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopiperazin-1-yl]propanoate?
The IUPAC name of tert-butyl (2S)-2-[(3S)-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopiperazin-1-yl]propanoate (CID 10736086) is tert-butyl (2S)-2-[(3S)-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopiperazin-1-yl]propanoate.
What is the SMILES notation for tert-butyl (2S)-2-[(3S)-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopiperazin-1-yl]propanoate?
The canonical SMILES for tert-butyl (2S)-2-[(3S)-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopiperazin-1-yl]propanoate is C[C@@H](C(=O)OC(C)(C)C)N1CCN[C@@H](CC(=O)OC(C)(C)C)C1=O.
What is the InChIKey of tert-butyl (2S)-2-[(3S)-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopiperazin-1-yl]propanoate?
The InChIKey is JTXJCZQCMSHEBU-RYUDHWBXSA-N. The full InChI is InChI=1S/C17H30N2O5/c1-11(15(22)24-17(5,6)7)19-9-8-18-12(14(19)21)10-13(20)23-16(2,3)4/h11-12,18H,8-10H2,1-7H3/t11-,12-/m0/s1.
What are the key properties of tert-butyl (2S)-2-[(3S)-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopiperazin-1-yl]propanoate?
tert-butyl (2S)-2-[(3S)-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopiperazin-1-yl]propanoate has a molecular weight of 342.44 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-[(3S)-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopiperazin-1-yl]propanoate is sourced from PubChem (CID 10736086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).