2-[(2R)-4-ethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopiperazin-2-yl]acetic acid

C13H22N2O5 — CID 91436948

IUPAC2-[(2R)-4-ethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopiperazin-2-yl]acetic acid
SMILESCCN1C[C@@H](CC(=O)O)N(C(=O)OC(C)(C)C)CC1=O
InChIInChI=1S/C13H22N2O5/c1-5-14-7-9(6-11(17)18)15(8-10(14)16)12(19)20-13(2,3)4/h9H,5-8H2,1-4H3,(H,17,18)/t9-/m1/s1
InChIKeyCZJIGTUVGDKPNR-SECBINFHSA-N
MW286.33 g/mol
LogP0.93
Rot. Bonds3

About 2-[(2R)-4-ethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopiperazin-2-yl]acetic acid

2-[(2R)-4-ethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopiperazin-2-yl]acetic acid (PubChem CID 91436948) has the molecular formula C13H22N2O5 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-[(2R)-4-ethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopiperazin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[(2R)-4-ethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopiperazin-2-yl]acetic acid
PubChem CID91436948
Molecular FormulaC13H22N2O5
Molecular Weight286.33 g/mol
Exact Mass286.15
IUPAC Name2-[(2R)-4-ethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopiperazin-2-yl]acetic acid
SMILESCCN1C[C@@H](CC(=O)O)N(C(=O)OC(C)(C)C)CC1=O
InChIInChI=1S/C13H22N2O5/c1-5-14-7-9(6-11(17)18)15(8-10(14)16)12(19)20-13(2,3)4/h9H,5-8H2,1-4H3,(H,17,18)/t9-/m1/s1
InChIKeyCZJIGTUVGDKPNR-SECBINFHSA-N
XLogP0.93
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(2R)-4-ethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopiperazin-2-yl]acetic acid with MolForge

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Related Compounds

tert-butyl (2S)-4-ethyl-2-methyl-5-oxopiperazine-1-carboxylate
CID 90740557
tert-butyl 4-benzyl-2-(chloromethyl)-5-oxopiperazine-1-carboxylate
CID 132575495
2-[(2R,4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]acetic acid
CID 155819570
2-[(2S,4S)-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]acetic acid
CID 142151746
tert-butyl 4-cyclobutyl-2-ethyl-5-oxopiperazine-1-carboxylate
CID 67362605
2-[(2S,4S)-4-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]acetic acid
CID 146155270
tert-butyl 2-ethylaziridine-1-carboxylate
CID 73192323
tert-butyl (2R)-2-(hydroxymethyl)-4-oxopyrrolidine-1-carboxylate
CID 22848098
(2R)-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopiperazine-2-carboxylic acid
CID 131229386
2-[(2S)-4,4-difluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]acetic acid
CID 163321538
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxopyrrolidin-2-yl]acetic acid
CID 82386519
tert-butyl 2-(1-hydroxybut-1-enyl)-4-methyl-5-oxopiperazine-1-carboxylate
CID 142382874

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-4-ethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopiperazin-2-yl]acetic acid?
The IUPAC name of 2-[(2R)-4-ethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopiperazin-2-yl]acetic acid (CID 91436948) is 2-[(2R)-4-ethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopiperazin-2-yl]acetic acid.
What is the SMILES notation for 2-[(2R)-4-ethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopiperazin-2-yl]acetic acid?
The canonical SMILES for 2-[(2R)-4-ethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopiperazin-2-yl]acetic acid is CCN1C[C@@H](CC(=O)O)N(C(=O)OC(C)(C)C)CC1=O.
What is the InChIKey of 2-[(2R)-4-ethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopiperazin-2-yl]acetic acid?
The InChIKey is CZJIGTUVGDKPNR-SECBINFHSA-N. The full InChI is InChI=1S/C13H22N2O5/c1-5-14-7-9(6-11(17)18)15(8-10(14)16)12(19)20-13(2,3)4/h9H,5-8H2,1-4H3,(H,17,18)/t9-/m1/s1.
What are the key properties of 2-[(2R)-4-ethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopiperazin-2-yl]acetic acid?
2-[(2R)-4-ethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopiperazin-2-yl]acetic acid has a molecular weight of 286.33 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-4-ethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopiperazin-2-yl]acetic acid is sourced from PubChem (CID 91436948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).