4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-ide-2-carboxylic acid;tungsten

C10H17N2O4W- — CID 59817685

IUPAC4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-ide-2-carboxylic acid;tungsten
SMILESCC(C)(C)OC(=O)N1CC[N-]C(C(=O)O)C1.[W]
InChIInChI=1S/C10H17N2O4.W/c1-10(2,3)16-9(15)12-5-4-11-7(6-12)8(13)14;/h7H,4-6H2,1-3H3,(H,13,14);/q-1;
InChIKeyNLAZPHQESXPWJX-UHFFFAOYSA-N
MW413.10 g/mol
LogP1.06
Rot. Bonds1

About 4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-ide-2-carboxylic acid;tungsten

4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-ide-2-carboxylic acid;tungsten (PubChem CID 59817685) has the molecular formula C10H17N2O4W- and a molecular weight of 413.10 g/mol. Its IUPAC name is 4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-ide-2-carboxylic acid;tungsten.

Molecular Properties

Compound Name4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-ide-2-carboxylic acid;tungsten
PubChem CID59817685
Molecular FormulaC10H17N2O4W-
Molecular Weight413.10 g/mol
Exact Mass413.07
IUPAC Name4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-ide-2-carboxylic acid;tungsten
SMILESCC(C)(C)OC(=O)N1CC[N-]C(C(=O)O)C1.[W]
InChIInChI=1S/C10H17N2O4.W/c1-10(2,3)16-9(15)12-5-4-11-7(6-12)8(13)14;/h7H,4-6H2,1-3H3,(H,13,14);/q-1;
InChIKeyNLAZPHQESXPWJX-UHFFFAOYSA-N
XLogP1.06
TPSA80.94 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.10
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1,4-bis[(2-methylpropan-2-yl)oxycarbonyl]-1,4-diazepane-2-carboxylic acid
CID 95387291
(3R,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3,4-dicarboxylic acid
CID 20599053
tert-butyl (3R)-3-methylpyrrolidine-1-carboxylate
CID 59070240
ditert-butyl 4,9-diazatricyclo[5.3.0.02,6]decane-4,9-dicarboxylate
CID 118111531
tert-butyl (3S,4S)-3,4-dimethylpyrrolidine-1-carboxylate
CID 90195379
tert-butyl 3-hydroxypyrrolidine-1-carboxylate;ethane;methanol;tungsten;hydrate
CID 170975790
tert-butyl (3S)-3-(2,2-dimethylpropyl)pyrrolidine-1-carboxylate
CID 164775419
4-(2-methylpropanoyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid
CID 138986876
(2S)-4-acetyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid
CID 95970021
1-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]azetidine-3-carboxylic acid
CID 44828647
(3R)-4,4-difluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid
CID 97290035
(3S)-3-ethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
CID 156875278

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-ide-2-carboxylic acid;tungsten?
The IUPAC name of 4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-ide-2-carboxylic acid;tungsten (CID 59817685) is 4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-ide-2-carboxylic acid;tungsten.
What is the SMILES notation for 4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-ide-2-carboxylic acid;tungsten?
The canonical SMILES for 4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-ide-2-carboxylic acid;tungsten is CC(C)(C)OC(=O)N1CC[N-]C(C(=O)O)C1.[W].
What is the InChIKey of 4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-ide-2-carboxylic acid;tungsten?
The InChIKey is NLAZPHQESXPWJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N2O4.W/c1-10(2,3)16-9(15)12-5-4-11-7(6-12)8(13)14;/h7H,4-6H2,1-3H3,(H,13,14);/q-1;.
What are the key properties of 4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-ide-2-carboxylic acid;tungsten?
4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-ide-2-carboxylic acid;tungsten has a molecular weight of 413.10 g/mol, XLogP of 1.06, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-ide-2-carboxylic acid;tungsten is sourced from PubChem (CID 59817685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).