calcium;2-aminopropanoic acid;azane;hydride

C3H12CaN2O2 — CID 173017649

IUPACcalcium;2-aminopropanoic acid;azane;hydride
SMILESCC(N)C(=O)O.N.[Ca+2].[H-].[H-]
InChIInChI=1S/C3H7NO2.Ca.H3N.2H/c1-2(4)3(5)6;;;;/h2H,4H2,1H3,(H,5,6);;1H3;;/q;+2;;2*-1
InChIKeyCAOBLMZOABADOU-UHFFFAOYSA-N
MW148.22 g/mol
LogP-0.58
Rot. Bonds1

About calcium;2-aminopropanoic acid;azane;hydride

calcium;2-aminopropanoic acid;azane;hydride (PubChem CID 173017649) has the molecular formula C3H12CaN2O2 and a molecular weight of 148.22 g/mol. Its IUPAC name is calcium;2-aminopropanoic acid;azane;hydride.

Molecular Properties

Compound Namecalcium;2-aminopropanoic acid;azane;hydride
PubChem CID173017649
Molecular FormulaC3H12CaN2O2
Molecular Weight148.22 g/mol
Exact Mass148.05
IUPAC Namecalcium;2-aminopropanoic acid;azane;hydride
SMILESCC(N)C(=O)O.N.[Ca+2].[H-].[H-]
InChIInChI=1S/C3H7NO2.Ca.H3N.2H/c1-2(4)3(5)6;;;;/h2H,4H2,1H3,(H,5,6);;1H3;;/q;+2;;2*-1
InChIKeyCAOBLMZOABADOU-UHFFFAOYSA-N
XLogP-0.58
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.22
LogP ≤ 5-0.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze calcium;2-aminopropanoic acid;azane;hydride 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;(2S)-2-aminopropanoic acid;hydride;hydrochloride
CID 173075158
trisodium;(2S)-2-aminopropanoic acid;hydride
CID 174824458
calcium;(2S)-2-aminopropanoic acid;dichloride
CID 173075157
potassium;2-aminopropanoic acid;hydride
CID 173162937
(2S)-2-aminopropanoic acid
CID 18446182
(2S)-2-aminopropanoic acid
CID 5950
(2R)-2-aminopropanoic acid
CID 18611140
CID 175156691
CID 175156691
acetic acid;2-aminopropanoic acid;azane
CID 175391326
CID 86589108
CID 86589108
tris(2-aminopropanoic acid);cobalt
CID 50909705
(2R)-2-aminopropanoic acid;phosphane
CID 157319334

Frequently Asked Questions

What is the IUPAC name of calcium;2-aminopropanoic acid;azane;hydride?
The IUPAC name of calcium;2-aminopropanoic acid;azane;hydride (CID 173017649) is calcium;2-aminopropanoic acid;azane;hydride.
What is the SMILES notation for calcium;2-aminopropanoic acid;azane;hydride?
The canonical SMILES for calcium;2-aminopropanoic acid;azane;hydride is CC(N)C(=O)O.N.[Ca+2].[H-].[H-].
What is the InChIKey of calcium;2-aminopropanoic acid;azane;hydride?
The InChIKey is CAOBLMZOABADOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO2.Ca.H3N.2H/c1-2(4)3(5)6;;;;/h2H,4H2,1H3,(H,5,6);;1H3;;/q;+2;;2*-1.
What are the key properties of calcium;2-aminopropanoic acid;azane;hydride?
calcium;2-aminopropanoic acid;azane;hydride has a molecular weight of 148.22 g/mol, XLogP of -0.58, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;2-aminopropanoic acid;azane;hydride is sourced from PubChem (CID 173017649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).