diazanium;3,3-dimethylcyclopropane-1,2-dicarboxylate

C7H16N2O4 — CID 118988856

IUPACdiazanium;3,3-dimethylcyclopropane-1,2-dicarboxylate
SMILESCC1(C)C(C(=O)[O-])C1C(=O)[O-].[NH4+].[NH4+]
InChIInChI=1S/C7H10O4.2H3N/c1-7(2)3(5(8)9)4(7)6(10)11;;/h3-4H,1-2H3,(H,8,9)(H,10,11);2*1H3
InChIKeyRFBRAFYVXSADBU-UHFFFAOYSA-N
MW192.21 g/mol
LogP-1.49
Rot. Bonds2

About diazanium;3,3-dimethylcyclopropane-1,2-dicarboxylate

diazanium;3,3-dimethylcyclopropane-1,2-dicarboxylate (PubChem CID 118988856) has the molecular formula C7H16N2O4 and a molecular weight of 192.21 g/mol. Its IUPAC name is diazanium;3,3-dimethylcyclopropane-1,2-dicarboxylate.

Molecular Properties

Compound Namediazanium;3,3-dimethylcyclopropane-1,2-dicarboxylate
PubChem CID118988856
Molecular FormulaC7H16N2O4
Molecular Weight192.21 g/mol
Exact Mass192.11
IUPAC Namediazanium;3,3-dimethylcyclopropane-1,2-dicarboxylate
SMILESCC1(C)C(C(=O)[O-])C1C(=O)[O-].[NH4+].[NH4+]
InChIInChI=1S/C7H10O4.2H3N/c1-7(2)3(5(8)9)4(7)6(10)11;;/h3-4H,1-2H3,(H,8,9)(H,10,11);2*1H3
InChIKeyRFBRAFYVXSADBU-UHFFFAOYSA-N
XLogP-1.49
TPSA153.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 5-1.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-carboxy-2,2-dimethylcyclopropane-1-carboxylate
CID 59116134
disodium;trans-(1R,3R)-2,2-dimethyl-3-(2-methyl-1-oxidoprop-1-enyl)cyclopropane-1-carboxylate
CID 102246223
sodium 3-(hydroxymethyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 23686973
sodium 3-(carboxymethyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 170695891
cis-(1R,3S)-3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 22827326
3-(methoxymethyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 22564701
sodium cis-(1R,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 158637664
2,2-dimethyl-3-(2,2,2-tribromoethyl)cyclopropane-1-carboxylate
CID 22564703
3-(cyclopentylidenemethyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 21241970
3-(1,3-dibromo-2-oxopropyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 19025111
3-[(E)-2-chloro-3-ethoxy-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate
CID 19907288
trans-(1S,3S)-3-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 154317838

Frequently Asked Questions

What is the IUPAC name of diazanium;3,3-dimethylcyclopropane-1,2-dicarboxylate?
The IUPAC name of diazanium;3,3-dimethylcyclopropane-1,2-dicarboxylate (CID 118988856) is diazanium;3,3-dimethylcyclopropane-1,2-dicarboxylate.
What is the SMILES notation for diazanium;3,3-dimethylcyclopropane-1,2-dicarboxylate?
The canonical SMILES for diazanium;3,3-dimethylcyclopropane-1,2-dicarboxylate is CC1(C)C(C(=O)[O-])C1C(=O)[O-].[NH4+].[NH4+].
What is the InChIKey of diazanium;3,3-dimethylcyclopropane-1,2-dicarboxylate?
The InChIKey is RFBRAFYVXSADBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O4.2H3N/c1-7(2)3(5(8)9)4(7)6(10)11;;/h3-4H,1-2H3,(H,8,9)(H,10,11);2*1H3.
What are the key properties of diazanium;3,3-dimethylcyclopropane-1,2-dicarboxylate?
diazanium;3,3-dimethylcyclopropane-1,2-dicarboxylate has a molecular weight of 192.21 g/mol, XLogP of -1.49, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diazanium;3,3-dimethylcyclopropane-1,2-dicarboxylate is sourced from PubChem (CID 118988856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).