calcium;N-methanidylcarbamate;bis(2-methylpropane)

C10H21CaNO2-2 — CID 87412147

IUPACcalcium;N-methanidylcarbamate;bis(2-methylpropane)
SMILESC[C-](C)C.C[C-](C)C.[CH2-]NC(=O)[O-].[Ca+2]
InChIInChI=1S/2C4H9.C2H4NO2.Ca/c2*1-4(2)3;1-3-2(4)5;/h2*1-3H3;3H,1H2,(H,4,5);/q3*-1;+2/p-1
InChIKeyNIARXZBTGRWXTQ-UHFFFAOYSA-M
MW227.36 g/mol
LogP1.57
Rot. Bonds

About calcium;N-methanidylcarbamate;bis(2-methylpropane)

calcium;N-methanidylcarbamate;bis(2-methylpropane) (PubChem CID 87412147) has the molecular formula C10H21CaNO2-2 and a molecular weight of 227.36 g/mol. Its IUPAC name is calcium;N-methanidylcarbamate;bis(2-methylpropane).

Molecular Properties

Compound Namecalcium;N-methanidylcarbamate;bis(2-methylpropane)
PubChem CID87412147
Molecular FormulaC10H21CaNO2-2
Molecular Weight227.36 g/mol
Exact Mass227.12
IUPAC Namecalcium;N-methanidylcarbamate;bis(2-methylpropane)
SMILESC[C-](C)C.C[C-](C)C.[CH2-]NC(=O)[O-].[Ca+2]
InChIInChI=1S/2C4H9.C2H4NO2.Ca/c2*1-4(2)3;1-3-2(4)5;/h2*1-3H3;3H,1H2,(H,4,5);/q3*-1;+2/p-1
InChIKeyNIARXZBTGRWXTQ-UHFFFAOYSA-M
XLogP1.57
TPSA52.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.36
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze calcium;N-methanidylcarbamate;bis(2-methylpropane) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methanidylacetamide;bis(2-methylpropane);uranium(2+);vanadium(2+)
CID 169021665
tricalcium diacetate
CID 19804487
calcium bis(2-methylpropanoate)
CID 102602609
calcium;azane;acetate
CID 19433381
potassium;carbonic acid;2-methylpropane
CID 87220631
calcium;ruthenium;carbonate
CID 87309849
calcium;cobalt;carbonate
CID 87309011
calcium;carbonate;hydrate
CID 23282065
calcium;hydrogen carbonate;acetate
CID 138401342
tricalcium;acetate;carbonate;chloride
CID 159671387
phosphanylphosphanium acetate
CID 162334335
calcium bis(2-bromo-2-hydroxypropanoate)
CID 171059437

Frequently Asked Questions

What is the IUPAC name of calcium;N-methanidylcarbamate;bis(2-methylpropane)?
The IUPAC name of calcium;N-methanidylcarbamate;bis(2-methylpropane) (CID 87412147) is calcium;N-methanidylcarbamate;bis(2-methylpropane).
What is the SMILES notation for calcium;N-methanidylcarbamate;bis(2-methylpropane)?
The canonical SMILES for calcium;N-methanidylcarbamate;bis(2-methylpropane) is C[C-](C)C.C[C-](C)C.[CH2-]NC(=O)[O-].[Ca+2].
What is the InChIKey of calcium;N-methanidylcarbamate;bis(2-methylpropane)?
The InChIKey is NIARXZBTGRWXTQ-UHFFFAOYSA-M. The full InChI is InChI=1S/2C4H9.C2H4NO2.Ca/c2*1-4(2)3;1-3-2(4)5;/h2*1-3H3;3H,1H2,(H,4,5);/q3*-1;+2/p-1.
What are the key properties of calcium;N-methanidylcarbamate;bis(2-methylpropane)?
calcium;N-methanidylcarbamate;bis(2-methylpropane) has a molecular weight of 227.36 g/mol, XLogP of 1.57, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;N-methanidylcarbamate;bis(2-methylpropane) is sourced from PubChem (CID 87412147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).