tert-butyl 2-[(3S)-3-[(2-methylpropan-2-yl)oxymethyl]-2-oxopiperazin-1-yl]acetate

C15H28N2O4 — CID 54293727

IUPACtert-butyl 2-[(3S)-3-[(2-methylpropan-2-yl)oxymethyl]-2-oxopiperazin-1-yl]acetate
SMILESCC(C)(C)OC[C@@H]1NCCN(CC(=O)OC(C)(C)C)C1=O
InChIInChI=1S/C15H28N2O4/c1-14(2,3)20-10-11-13(19)17(8-7-16-11)9-12(18)21-15(4,5)6/h11,16H,7-10H2,1-6H3/t11-/m0/s1
InChIKeyRZHXHAQYZCFJMA-NSHDSACASA-N
MW300.40 g/mol
LogP0.94
Rot. Bonds4

About tert-butyl 2-[(3S)-3-[(2-methylpropan-2-yl)oxymethyl]-2-oxopiperazin-1-yl]acetate

tert-butyl 2-[(3S)-3-[(2-methylpropan-2-yl)oxymethyl]-2-oxopiperazin-1-yl]acetate (PubChem CID 54293727) has the molecular formula C15H28N2O4 and a molecular weight of 300.40 g/mol. Its IUPAC name is tert-butyl 2-[(3S)-3-[(2-methylpropan-2-yl)oxymethyl]-2-oxopiperazin-1-yl]acetate.

Molecular Properties

Compound Nametert-butyl 2-[(3S)-3-[(2-methylpropan-2-yl)oxymethyl]-2-oxopiperazin-1-yl]acetate
PubChem CID54293727
Molecular FormulaC15H28N2O4
Molecular Weight300.40 g/mol
Exact Mass300.20
IUPAC Nametert-butyl 2-[(3S)-3-[(2-methylpropan-2-yl)oxymethyl]-2-oxopiperazin-1-yl]acetate
SMILESCC(C)(C)OC[C@@H]1NCCN(CC(=O)OC(C)(C)C)C1=O
InChIInChI=1S/C15H28N2O4/c1-14(2,3)20-10-11-13(19)17(8-7-16-11)9-12(18)21-15(4,5)6/h11,16H,7-10H2,1-6H3/t11-/m0/s1
InChIKeyRZHXHAQYZCFJMA-NSHDSACASA-N
XLogP0.94
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 2-[3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-2-oxopiperazin-1-yl]acetate
CID 54108971
tert-butyl 2-[(3S)-3-[2-[bis(4-methoxyphenyl)methylamino]-2-oxoethyl]-2-oxopiperazin-1-yl]acetate
CID 10839026
tert-butyl 2-(2-oxopiperazin-1-yl)acetate
CID 10584737
tert-butyl 2-[(3S)-3-methylpiperazin-1-yl]acetate
CID 104976913
(3R)-3-[(2-methylpropan-2-yl)oxymethyl]piperazin-2-one
CID 58058025
methyl 2-[(2S)-4-ethyl-3-oxopiperazin-2-yl]acetate
CID 86316765
(3R)-1,3-diethylpiperazin-2-one
CID 96645682
propan-2-yl 2-(4-ethyl-3-oxopiperazin-2-yl)acetate;hydrochloride
CID 110282532
ethyl 2-(4-ethyl-3-oxopiperazin-2-yl)acetate
CID 110282529
N-ethyl-N-methyl-2-(2-oxo-3-propylpiperazin-1-yl)acetamide
CID 172611657
3-[(2-methylpropan-2-yl)oxymethyl]piperazin-2-one;phosphoric acid
CID 158341162
(2,5-dioxocyclopentyl) 2-[4,7,10-tris[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetate
CID 170690388

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(3S)-3-[(2-methylpropan-2-yl)oxymethyl]-2-oxopiperazin-1-yl]acetate?
The IUPAC name of tert-butyl 2-[(3S)-3-[(2-methylpropan-2-yl)oxymethyl]-2-oxopiperazin-1-yl]acetate (CID 54293727) is tert-butyl 2-[(3S)-3-[(2-methylpropan-2-yl)oxymethyl]-2-oxopiperazin-1-yl]acetate.
What is the SMILES notation for tert-butyl 2-[(3S)-3-[(2-methylpropan-2-yl)oxymethyl]-2-oxopiperazin-1-yl]acetate?
The canonical SMILES for tert-butyl 2-[(3S)-3-[(2-methylpropan-2-yl)oxymethyl]-2-oxopiperazin-1-yl]acetate is CC(C)(C)OC[C@@H]1NCCN(CC(=O)OC(C)(C)C)C1=O.
What is the InChIKey of tert-butyl 2-[(3S)-3-[(2-methylpropan-2-yl)oxymethyl]-2-oxopiperazin-1-yl]acetate?
The InChIKey is RZHXHAQYZCFJMA-NSHDSACASA-N. The full InChI is InChI=1S/C15H28N2O4/c1-14(2,3)20-10-11-13(19)17(8-7-16-11)9-12(18)21-15(4,5)6/h11,16H,7-10H2,1-6H3/t11-/m0/s1.
What are the key properties of tert-butyl 2-[(3S)-3-[(2-methylpropan-2-yl)oxymethyl]-2-oxopiperazin-1-yl]acetate?
tert-butyl 2-[(3S)-3-[(2-methylpropan-2-yl)oxymethyl]-2-oxopiperazin-1-yl]acetate has a molecular weight of 300.40 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(3S)-3-[(2-methylpropan-2-yl)oxymethyl]-2-oxopiperazin-1-yl]acetate is sourced from PubChem (CID 54293727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).