tert-butyl 2-[(2S)-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3-oxopiperazin-2-yl]acetate

C16H28N2O5 — CID 10568286

IUPACtert-butyl 2-[(2S)-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3-oxopiperazin-2-yl]acetate
SMILESCC(C)(C)OC(=O)C[C@@H]1NCCN(CC(=O)OC(C)(C)C)C1=O
InChIInChI=1S/C16H28N2O5/c1-15(2,3)22-12(19)9-11-14(21)18(8-7-17-11)10-13(20)23-16(4,5)6/h11,17H,7-10H2,1-6H3/t11-/m0/s1
InChIKeyHNGNHSYDMJGIGC-NSHDSACASA-N
MW328.41 g/mol
LogP0.86
Rot. Bonds4

About tert-butyl 2-[(2S)-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3-oxopiperazin-2-yl]acetate

tert-butyl 2-[(2S)-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3-oxopiperazin-2-yl]acetate (PubChem CID 10568286) has the molecular formula C16H28N2O5 and a molecular weight of 328.41 g/mol. Its IUPAC name is tert-butyl 2-[(2S)-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3-oxopiperazin-2-yl]acetate.

Molecular Properties

Compound Nametert-butyl 2-[(2S)-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3-oxopiperazin-2-yl]acetate
PubChem CID10568286
Molecular FormulaC16H28N2O5
Molecular Weight328.41 g/mol
Exact Mass328.20
IUPAC Nametert-butyl 2-[(2S)-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3-oxopiperazin-2-yl]acetate
SMILESCC(C)(C)OC(=O)C[C@@H]1NCCN(CC(=O)OC(C)(C)C)C1=O
InChIInChI=1S/C16H28N2O5/c1-15(2,3)22-12(19)9-11-14(21)18(8-7-17-11)10-13(20)23-16(4,5)6/h11,17H,7-10H2,1-6H3/t11-/m0/s1
InChIKeyHNGNHSYDMJGIGC-NSHDSACASA-N
XLogP0.86
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl 2-[(2S)-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3-oxopiperazin-2-yl]acetate with MolForge

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Related Compounds

Tert-butyl 2-(2-ethoxy-2-oxoethyl)-3-oxopiperazine-1-carboxylate
CID 4935497
3-tert-Butoxycarbonylamino-N-(1-carbamoyl-ethyl)-succinamic acid tert-butyl ester
CID 652835
Tert-butyl 3-oxo-2-(2-oxo-2-propoxyethyl)piperazine-1-carboxylate
CID 3161315
Tert-butyl 2-(2-methoxy-2-oxoethyl)-3-oxopiperazine-1-carboxylate
CID 2986153
N-cyclohexyl-2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)acetamide
CID 53244978
2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-propylacetamide
CID 53244979
N-(3,3-dimethylbutyl)-2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)acetamide
CID 53244981
N-cyclopentyl-2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)acetamide
CID 53244983
N-ethyl-2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)acetamide
CID 53245042
H-D-Asp-D-Asp(OtBu)-OMe
CID 44369637
Methyl 2-(3-oxo-1-propanoylpiperazin-2-yl)acetate
CID 2959122
Boc-Asp(OtBu)-Ala-OtBu
CID 164675733

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(2S)-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3-oxopiperazin-2-yl]acetate?
The IUPAC name of tert-butyl 2-[(2S)-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3-oxopiperazin-2-yl]acetate (CID 10568286) is tert-butyl 2-[(2S)-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3-oxopiperazin-2-yl]acetate.
What is the SMILES notation for tert-butyl 2-[(2S)-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3-oxopiperazin-2-yl]acetate?
The canonical SMILES for tert-butyl 2-[(2S)-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3-oxopiperazin-2-yl]acetate is CC(C)(C)OC(=O)C[C@@H]1NCCN(CC(=O)OC(C)(C)C)C1=O.
What is the InChIKey of tert-butyl 2-[(2S)-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3-oxopiperazin-2-yl]acetate?
The InChIKey is HNGNHSYDMJGIGC-NSHDSACASA-N. The full InChI is InChI=1S/C16H28N2O5/c1-15(2,3)22-12(19)9-11-14(21)18(8-7-17-11)10-13(20)23-16(4,5)6/h11,17H,7-10H2,1-6H3/t11-/m0/s1.
What are the key properties of tert-butyl 2-[(2S)-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3-oxopiperazin-2-yl]acetate?
tert-butyl 2-[(2S)-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3-oxopiperazin-2-yl]acetate has a molecular weight of 328.41 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(2S)-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3-oxopiperazin-2-yl]acetate is sourced from PubChem (CID 10568286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).