calcium;azane;hydride;2-hydroxypropanoic acid;zirconium

C3H11CaNO3Zr — CID 173461557

IUPACcalcium;azane;hydride;2-hydroxypropanoic acid;zirconium
SMILESCC(O)C(=O)O.N.[Ca+2].[H-].[H-].[Zr]
InChIInChI=1S/C3H6O3.Ca.H3N.Zr.2H/c1-2(4)3(5)6;;;;;/h2,4H,1H3,(H,5,6);;1H3;;;/q;+2;;;2*-1
InChIKeyQGOPWBFCXJLGFM-UHFFFAOYSA-N
MW240.43 g/mol
LogP-0.54
Rot. Bonds1

About calcium;azane;hydride;2-hydroxypropanoic acid;zirconium

calcium;azane;hydride;2-hydroxypropanoic acid;zirconium (PubChem CID 173461557) has the molecular formula C3H11CaNO3Zr and a molecular weight of 240.43 g/mol. Its IUPAC name is calcium;azane;hydride;2-hydroxypropanoic acid;zirconium.

Molecular Properties

Compound Namecalcium;azane;hydride;2-hydroxypropanoic acid;zirconium
PubChem CID173461557
Molecular FormulaC3H11CaNO3Zr
Molecular Weight240.43 g/mol
Exact Mass238.94
IUPAC Namecalcium;azane;hydride;2-hydroxypropanoic acid;zirconium
SMILESCC(O)C(=O)O.N.[Ca+2].[H-].[H-].[Zr]
InChIInChI=1S/C3H6O3.Ca.H3N.Zr.2H/c1-2(4)3(5)6;;;;;/h2,4H,1H3,(H,5,6);;1H3;;;/q;+2;;;2*-1
InChIKeyQGOPWBFCXJLGFM-UHFFFAOYSA-N
XLogP-0.54
TPSA92.53 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 5-0.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze calcium;azane;hydride;2-hydroxypropanoic acid;zirconium 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

calcium;hydride;2-hydroxypropanoic acid;tetrahydrate
CID 173372729
calcium;hydride;2-hydroxypropanoic acid;dihydrate
CID 173144735
tricalcium;carbonic acid;hydride;2-hydroxypropanoic acid
CID 174343261
calcium hexakis(2-hydroxypropanoic acid)
CID 162368187
pentaheptacontacalcium;(2-hydroxypropanoic acid)
CID 173046474
hydride;2-hydroxypropanoic acid;rubidium(1+)
CID 173047351
calcium;hydron;2-hydroxypropanoic acid
CID 173451466
tridecasodium;hydride;pentakis(2-hydroxypropanoic acid)
CID 173456242
azane;bis(2-hydroxypropanoic acid);dihydrate
CID 175182487
dilithium;hydride;2-hydroxypropanoic acid
CID 174731520
2-hydroxypropanoic acid
CID 87075455
azane;2-hydroxypropanoic acid;oxotitanium
CID 175450174

Frequently Asked Questions

What is the IUPAC name of calcium;azane;hydride;2-hydroxypropanoic acid;zirconium?
The IUPAC name of calcium;azane;hydride;2-hydroxypropanoic acid;zirconium (CID 173461557) is calcium;azane;hydride;2-hydroxypropanoic acid;zirconium.
What is the SMILES notation for calcium;azane;hydride;2-hydroxypropanoic acid;zirconium?
The canonical SMILES for calcium;azane;hydride;2-hydroxypropanoic acid;zirconium is CC(O)C(=O)O.N.[Ca+2].[H-].[H-].[Zr].
What is the InChIKey of calcium;azane;hydride;2-hydroxypropanoic acid;zirconium?
The InChIKey is QGOPWBFCXJLGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O3.Ca.H3N.Zr.2H/c1-2(4)3(5)6;;;;;/h2,4H,1H3,(H,5,6);;1H3;;;/q;+2;;;2*-1.
What are the key properties of calcium;azane;hydride;2-hydroxypropanoic acid;zirconium?
calcium;azane;hydride;2-hydroxypropanoic acid;zirconium has a molecular weight of 240.43 g/mol, XLogP of -0.54, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;azane;hydride;2-hydroxypropanoic acid;zirconium is sourced from PubChem (CID 173461557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).