calcium;hydride;4-hydroxy-2-(propylamino)butanoic acid;radon

C7H17CaNO3Rn — CID 174783521

IUPACcalcium;hydride;4-hydroxy-2-(propylamino)butanoic acid;radon
SMILESCCCNC(CCO)C(=O)O.[Ca+2].[H-].[H-].[Rn]
InChIInChI=1S/C7H15NO3.Ca.Rn.2H/c1-2-4-8-6(3-5-9)7(10)11;;;;/h6,8-9H,2-5H2,1H3,(H,10,11);;;;/q;+2;;2*-1
InChIKeyCERJUPJMFSDLSZ-UHFFFAOYSA-N
MW425.30 g/mol
LogP-0.33
Rot. Bonds6

About calcium;hydride;4-hydroxy-2-(propylamino)butanoic acid;radon

calcium;hydride;4-hydroxy-2-(propylamino)butanoic acid;radon (PubChem CID 174783521) has the molecular formula C7H17CaNO3Rn and a molecular weight of 425.30 g/mol. Its IUPAC name is calcium;hydride;4-hydroxy-2-(propylamino)butanoic acid;radon.

Molecular Properties

Compound Namecalcium;hydride;4-hydroxy-2-(propylamino)butanoic acid;radon
PubChem CID174783521
Molecular FormulaC7H17CaNO3Rn
Molecular Weight425.30 g/mol
Exact Mass425.10
IUPAC Namecalcium;hydride;4-hydroxy-2-(propylamino)butanoic acid;radon
SMILESCCCNC(CCO)C(=O)O.[Ca+2].[H-].[H-].[Rn]
InChIInChI=1S/C7H15NO3.Ca.Rn.2H/c1-2-4-8-6(3-5-9)7(10)11;;;;/h6,8-9H,2-5H2,1H3,(H,10,11);;;;/q;+2;;2*-1
InChIKeyCERJUPJMFSDLSZ-UHFFFAOYSA-N
XLogP-0.33
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.30
LogP ≤ 5-0.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

azane;4-hydroxy-2-(propylamino)butanoic acid;hydrate;hydrochloride
CID 174910345
disodium;(2S)-4-hydroxy-2-(propylamino)butanoic acid;carbonate
CID 161259430
(2S)-4-hydroxy-2-(propylamino)butanoic acid;sulfuric acid
CID 172821173
4-hydroxy-2-(propylamino)butanoic acid;pentane-1,1-diamine
CID 174939925
2-amino-3-hydroxybutanoic acid;4-hydroxy-2-(propylamino)butanoic acid;zinc
CID 174949324
2-aminoacetic acid;2-amino-3-hydroxypropanoic acid;4-hydroxy-2-(propylamino)butanoic acid
CID 174818632
(2S)-3-hydroxy-2-(propylamino)propanoic acid
CID 55287062
2-(propylamino)tetradecanoic acid
CID 54527307
(2S)-4-hydroxy-2-(3-hydroxydodecylamino)butanoic acid
CID 175590660
bis(2-amino-3-phenylpropanoic acid);4-hydroxy-2-(propylamino)butanoic acid
CID 174963682
6-amino-2-(dimethylamino)-2-methylhexanoic acid;4-hydroxy-2-(propylamino)butanoic acid
CID 174820821
4-ethoxy-2-(propylamino)butanoic acid
CID 63039311

Frequently Asked Questions

What is the IUPAC name of calcium;hydride;4-hydroxy-2-(propylamino)butanoic acid;radon?
The IUPAC name of calcium;hydride;4-hydroxy-2-(propylamino)butanoic acid;radon (CID 174783521) is calcium;hydride;4-hydroxy-2-(propylamino)butanoic acid;radon.
What is the SMILES notation for calcium;hydride;4-hydroxy-2-(propylamino)butanoic acid;radon?
The canonical SMILES for calcium;hydride;4-hydroxy-2-(propylamino)butanoic acid;radon is CCCNC(CCO)C(=O)O.[Ca+2].[H-].[H-].[Rn].
What is the InChIKey of calcium;hydride;4-hydroxy-2-(propylamino)butanoic acid;radon?
The InChIKey is CERJUPJMFSDLSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3.Ca.Rn.2H/c1-2-4-8-6(3-5-9)7(10)11;;;;/h6,8-9H,2-5H2,1H3,(H,10,11);;;;/q;+2;;2*-1.
What are the key properties of calcium;hydride;4-hydroxy-2-(propylamino)butanoic acid;radon?
calcium;hydride;4-hydroxy-2-(propylamino)butanoic acid;radon has a molecular weight of 425.30 g/mol, XLogP of -0.33, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;hydride;4-hydroxy-2-(propylamino)butanoic acid;radon is sourced from PubChem (CID 174783521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).