calcium (2-aminoacetyl) phosphate

C2H4CaNO5P — CID 170308225

IUPACcalcium (2-aminoacetyl) phosphate
SMILESNCC(=O)OP(=O)([O-])[O-].[Ca+2]
InChIInChI=1S/C2H6NO5P.Ca/c3-1-2(4)8-9(5,6)7;/h1,3H2,(H2,5,6,7);/q;+2/p-2
InChIKeyUYUQGPZFPHGFSB-UHFFFAOYSA-L
MW193.11 g/mol
LogP-3.06
Rot. Bonds2

About calcium (2-aminoacetyl) phosphate

calcium (2-aminoacetyl) phosphate (PubChem CID 170308225) has the molecular formula C2H4CaNO5P and a molecular weight of 193.11 g/mol. Its IUPAC name is calcium (2-aminoacetyl) phosphate.

Molecular Properties

Compound Namecalcium (2-aminoacetyl) phosphate
PubChem CID170308225
Molecular FormulaC2H4CaNO5P
Molecular Weight193.11 g/mol
Exact Mass192.95
IUPAC Namecalcium (2-aminoacetyl) phosphate
SMILESNCC(=O)OP(=O)([O-])[O-].[Ca+2]
InChIInChI=1S/C2H6NO5P.Ca/c3-1-2(4)8-9(5,6)7;/h1,3H2,(H2,5,6,7);/q;+2/p-2
InChIKeyUYUQGPZFPHGFSB-UHFFFAOYSA-L
XLogP-3.06
TPSA115.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.11
LogP ≤ 5-3.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

dipotassium;(2-aminoacetyl) phosphate
CID 22483641
calcium propanoyl phosphate
CID 141372314
dimethoxyphosphoryl 2-aminoacetate
CID 150492348
pentanoyl phosphate
CID 149253052
[ethoxy(hydroxy)phosphoryl] 2-aminoacetate
CID 174702024
sodium;2-aminoacetic acid;dihydrogen phosphate;hydrochloride
CID 174054981
dialuminum;tris([(3S,4R)-3,4,5-trihydroxypentanoyl] phosphate)
CID 23569196
triazanium;carbamoyl phosphate;hydrogen carbonate
CID 160887362
potassium;hydride;methyl 2-aminoacetate
CID 175381316
(2-aminoacetyl)oxyphosphonamidic acid;[(2S)-2-amino-3-methylbutanoyl]oxyphosphonamidic acid
CID 175759934
pentacalcium;hydroxy phosphate
CID 23186977
dicalcium;sodium;carbonate;phosphate
CID 172753689

Frequently Asked Questions

What is the IUPAC name of calcium (2-aminoacetyl) phosphate?
The IUPAC name of calcium (2-aminoacetyl) phosphate (CID 170308225) is calcium (2-aminoacetyl) phosphate.
What is the SMILES notation for calcium (2-aminoacetyl) phosphate?
The canonical SMILES for calcium (2-aminoacetyl) phosphate is NCC(=O)OP(=O)([O-])[O-].[Ca+2].
What is the InChIKey of calcium (2-aminoacetyl) phosphate?
The InChIKey is UYUQGPZFPHGFSB-UHFFFAOYSA-L. The full InChI is InChI=1S/C2H6NO5P.Ca/c3-1-2(4)8-9(5,6)7;/h1,3H2,(H2,5,6,7);/q;+2/p-2.
What are the key properties of calcium (2-aminoacetyl) phosphate?
calcium (2-aminoacetyl) phosphate has a molecular weight of 193.11 g/mol, XLogP of -3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for calcium (2-aminoacetyl) phosphate is sourced from PubChem (CID 170308225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).