calcium;(2S)-2-aminopropanoic acid;dichloride

C3H7CaCl2NO2 — CID 173075157

IUPACcalcium;(2S)-2-aminopropanoic acid;dichloride
SMILESC[C@H](N)C(=O)O.[Ca+2].[Cl-].[Cl-]
InChIInChI=1S/C3H7NO2.Ca.2ClH/c1-2(4)3(5)6;;;/h2H,4H2,1H3,(H,5,6);;2*1H/q;+2;;/p-2/t2-;;;/m0.../s1
InChIKeyHHVWYLZRAFLGTC-SQGDDOFFSA-L
MW200.08 g/mol
LogP-6.95
Rot. Bonds1

About calcium;(2S)-2-aminopropanoic acid;dichloride

calcium;(2S)-2-aminopropanoic acid;dichloride (PubChem CID 173075157) has the molecular formula C3H7CaCl2NO2 and a molecular weight of 200.08 g/mol. Its IUPAC name is calcium;(2S)-2-aminopropanoic acid;dichloride.

Molecular Properties

Compound Namecalcium;(2S)-2-aminopropanoic acid;dichloride
PubChem CID173075157
Molecular FormulaC3H7CaCl2NO2
Molecular Weight200.08 g/mol
Exact Mass198.95
IUPAC Namecalcium;(2S)-2-aminopropanoic acid;dichloride
SMILESC[C@H](N)C(=O)O.[Ca+2].[Cl-].[Cl-]
InChIInChI=1S/C3H7NO2.Ca.2ClH/c1-2(4)3(5)6;;;/h2H,4H2,1H3,(H,5,6);;2*1H/q;+2;;/p-2/t2-;;;/m0.../s1
InChIKeyHHVWYLZRAFLGTC-SQGDDOFFSA-L
XLogP-6.95
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.08
LogP ≤ 5-6.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-aminopropanoic acid
CID 18446182
(2S)-2-aminopropanoic acid
CID 5950
(2R)-2-aminopropanoic acid
CID 18611140
CID 175156691
CID 175156691
calcium;(2S)-2-aminopropanoic acid;hydride;hydrochloride
CID 173075158
calcium;2-aminopropanoic acid;azane;hydride
CID 173017649
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
potassium;2-aminopropanoic acid;hydride
CID 173162937
acetic acid;(2S)-2-aminopropanoic acid
CID 87112640

Frequently Asked Questions

What is the IUPAC name of calcium;(2S)-2-aminopropanoic acid;dichloride?
The IUPAC name of calcium;(2S)-2-aminopropanoic acid;dichloride (CID 173075157) is calcium;(2S)-2-aminopropanoic acid;dichloride.
What is the SMILES notation for calcium;(2S)-2-aminopropanoic acid;dichloride?
The canonical SMILES for calcium;(2S)-2-aminopropanoic acid;dichloride is C[C@H](N)C(=O)O.[Ca+2].[Cl-].[Cl-].
What is the InChIKey of calcium;(2S)-2-aminopropanoic acid;dichloride?
The InChIKey is HHVWYLZRAFLGTC-SQGDDOFFSA-L. The full InChI is InChI=1S/C3H7NO2.Ca.2ClH/c1-2(4)3(5)6;;;/h2H,4H2,1H3,(H,5,6);;2*1H/q;+2;;/p-2/t2-;;;/m0.../s1.
What are the key properties of calcium;(2S)-2-aminopropanoic acid;dichloride?
calcium;(2S)-2-aminopropanoic acid;dichloride has a molecular weight of 200.08 g/mol, XLogP of -6.95, 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;dichloride is sourced from PubChem (CID 173075157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).