calcium;(2S)-2-aminopropanoic acid;hydride;hydrochloride

C3H10CaClNO2 — CID 173075158

IUPACcalcium;(2S)-2-aminopropanoic acid;hydride;hydrochloride
SMILESC[C@H](N)C(=O)O.Cl.[Ca+2].[H-].[H-]
InChIInChI=1S/C3H7NO2.Ca.ClH.2H/c1-2(4)3(5)6;;;;/h2H,4H2,1H3,(H,5,6);;1H;;/q;+2;;2*-1/t2-;;;;/m0..../s1
InChIKeyPUBNEMRSTCEHKD-AIDJSRAFSA-N
MW167.65 g/mol
LogP-0.32
Rot. Bonds1

About calcium;(2S)-2-aminopropanoic acid;hydride;hydrochloride

calcium;(2S)-2-aminopropanoic acid;hydride;hydrochloride (PubChem CID 173075158) has the molecular formula C3H10CaClNO2 and a molecular weight of 167.65 g/mol. Its IUPAC name is calcium;(2S)-2-aminopropanoic acid;hydride;hydrochloride.

Molecular Properties

Compound Namecalcium;(2S)-2-aminopropanoic acid;hydride;hydrochloride
PubChem CID173075158
Molecular FormulaC3H10CaClNO2
Molecular Weight167.65 g/mol
Exact Mass167.00
IUPAC Namecalcium;(2S)-2-aminopropanoic acid;hydride;hydrochloride
SMILESC[C@H](N)C(=O)O.Cl.[Ca+2].[H-].[H-]
InChIInChI=1S/C3H7NO2.Ca.ClH.2H/c1-2(4)3(5)6;;;;/h2H,4H2,1H3,(H,5,6);;1H;;/q;+2;;2*-1/t2-;;;;/m0..../s1
InChIKeyPUBNEMRSTCEHKD-AIDJSRAFSA-N
XLogP-0.32
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.65
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

calcium;2-aminopropanoic acid;azane;hydride
CID 173017649
potassium;2-aminopropanoic acid;hydride
CID 173162937
trisodium;(2S)-2-aminopropanoic acid;hydride
CID 174824458
calcium;(2S)-2-aminopropanoic acid;dichloride
CID 173075157
(2S)-2-aminopropanoic acid
CID 18446182
(2S)-2-aminopropanoic acid
CID 5950
(2R)-2-aminopropanoic acid
CID 18611140
CID 175156691
CID 175156691
CID 86589108
CID 86589108
tris(2-aminopropanoic acid);cobalt
CID 50909705
(2R)-2-aminopropanoic acid;phosphane
CID 157319334
(2S)-2-aminopropanoic acid;polane
CID 173022618

Frequently Asked Questions

What is the IUPAC name of calcium;(2S)-2-aminopropanoic acid;hydride;hydrochloride?
The IUPAC name of calcium;(2S)-2-aminopropanoic acid;hydride;hydrochloride (CID 173075158) is calcium;(2S)-2-aminopropanoic acid;hydride;hydrochloride.
What is the SMILES notation for calcium;(2S)-2-aminopropanoic acid;hydride;hydrochloride?
The canonical SMILES for calcium;(2S)-2-aminopropanoic acid;hydride;hydrochloride is C[C@H](N)C(=O)O.Cl.[Ca+2].[H-].[H-].
What is the InChIKey of calcium;(2S)-2-aminopropanoic acid;hydride;hydrochloride?
The InChIKey is PUBNEMRSTCEHKD-AIDJSRAFSA-N. The full InChI is InChI=1S/C3H7NO2.Ca.ClH.2H/c1-2(4)3(5)6;;;;/h2H,4H2,1H3,(H,5,6);;1H;;/q;+2;;2*-1/t2-;;;;/m0..../s1.
What are the key properties of calcium;(2S)-2-aminopropanoic acid;hydride;hydrochloride?
calcium;(2S)-2-aminopropanoic acid;hydride;hydrochloride has a molecular weight of 167.65 g/mol, XLogP of -0.32, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;(2S)-2-aminopropanoic acid;hydride;hydrochloride is sourced from PubChem (CID 173075158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).