4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopiperazine-2-carboxylic acid

C11H18N2O5 — CID 130003265

IUPAC4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopiperazine-2-carboxylic acid
SMILESCN1CC(C(=O)O)N(C(=O)OC(C)(C)C)CC1=O
InChIInChI=1S/C11H18N2O5/c1-11(2,3)18-10(17)13-6-8(14)12(4)5-7(13)9(15)16/h7H,5-6H2,1-4H3,(H,15,16)
InChIKeyJCWVJGRONWQGDE-UHFFFAOYSA-N
MW258.27 g/mol
LogP0.15
Rot. Bonds1

About 4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopiperazine-2-carboxylic acid

4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopiperazine-2-carboxylic acid (PubChem CID 130003265) has the molecular formula C11H18N2O5 and a molecular weight of 258.27 g/mol. Its IUPAC name is 4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopiperazine-2-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopiperazine-2-carboxylic acid
PubChem CID130003265
Molecular FormulaC11H18N2O5
Molecular Weight258.27 g/mol
Exact Mass258.12
IUPAC Name4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopiperazine-2-carboxylic acid
SMILESCN1CC(C(=O)O)N(C(=O)OC(C)(C)C)CC1=O
InChIInChI=1S/C11H18N2O5/c1-11(2,3)18-10(17)13-6-8(14)12(4)5-7(13)9(15)16/h7H,5-6H2,1-4H3,(H,15,16)
InChIKeyJCWVJGRONWQGDE-UHFFFAOYSA-N
XLogP0.15
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-{4-[(Tert-butoxy)carbonyl]piperazin-1-yl}acetic acid
CID 2735642
1,4-Di-tert-butyl 2-methyl piperazine-1,2,4-tricarboxylate
CID 22458573
(2R)-1-(tert-Butoxycarbonyl)piperazine-2-carboxylic acid
CID 24820285
2-(4-(Tert-butoxycarbonyl)-2-oxopiperazin-1-yl)acetic acid
CID 17040175
methyl (2R)-1,4-diacetylpiperazine-2-carboxylate
CID 7161619
(S)-4-N-Boc-piperazine-2-carboxylic acid
CID 1501850
3-(4-(tert-Butoxycarbonyl)piperazin-1-yl)propanoic acid
CID 2735644
2-(4-(tert-Butoxycarbonyl)piperazin-1-yl)propanoic acid
CID 2735645
4-[(Tert-butoxy)carbonyl]piperazine-2-carboxylic acid
CID 5175855
1,4-Di-Boc-piperazine-2-carboxylic acid
CID 11255979
(4-Boc-piperazin-1-yl)-oxo-acetic acid
CID 17750355
1-Boc-piperazine-2-carboxylic acid
CID 22507584

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopiperazine-2-carboxylic acid?
The IUPAC name of 4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopiperazine-2-carboxylic acid (CID 130003265) is 4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopiperazine-2-carboxylic acid.
What is the SMILES notation for 4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopiperazine-2-carboxylic acid?
The canonical SMILES for 4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopiperazine-2-carboxylic acid is CN1CC(C(=O)O)N(C(=O)OC(C)(C)C)CC1=O.
What is the InChIKey of 4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopiperazine-2-carboxylic acid?
The InChIKey is JCWVJGRONWQGDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O5/c1-11(2,3)18-10(17)13-6-8(14)12(4)5-7(13)9(15)16/h7H,5-6H2,1-4H3,(H,15,16).
What are the key properties of 4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopiperazine-2-carboxylic acid?
4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopiperazine-2-carboxylic acid has a molecular weight of 258.27 g/mol, XLogP of 0.15, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopiperazine-2-carboxylic acid is sourced from PubChem (CID 130003265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).