calcium;amino 2-hydroxypropanoate;hydride

C3H9CaNO3 — CID 173433057

IUPACcalcium;amino 2-hydroxypropanoate;hydride
SMILESCC(O)C(=O)ON.[Ca+2].[H-].[H-]
InChIInChI=1S/C3H7NO3.Ca.2H/c1-2(5)3(6)7-4;;;/h2,5H,4H2,1H3;;;/q;+2;2*-1
InChIKeyJPYJTUIXSYLQSS-UHFFFAOYSA-N
MW147.19 g/mol
LogP-1.37
Rot. Bonds1

About calcium;amino 2-hydroxypropanoate;hydride

calcium;amino 2-hydroxypropanoate;hydride (PubChem CID 173433057) has the molecular formula C3H9CaNO3 and a molecular weight of 147.19 g/mol. Its IUPAC name is calcium;amino 2-hydroxypropanoate;hydride.

Molecular Properties

Compound Namecalcium;amino 2-hydroxypropanoate;hydride
PubChem CID173433057
Molecular FormulaC3H9CaNO3
Molecular Weight147.19 g/mol
Exact Mass147.02
IUPAC Namecalcium;amino 2-hydroxypropanoate;hydride
SMILESCC(O)C(=O)ON.[Ca+2].[H-].[H-]
InChIInChI=1S/C3H7NO3.Ca.2H/c1-2(5)3(6)7-4;;;/h2,5H,4H2,1H3;;;/q;+2;2*-1
InChIKeyJPYJTUIXSYLQSS-UHFFFAOYSA-N
XLogP-1.37
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.19
LogP ≤ 5-1.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

calcium;alumane;hydride;2-hydroxypropanoyl 2-hydroxypropanoate
CID 173336900
calcium;hydride;phosphanyl 2-hydroxypropanoate
CID 174498775
calcium;carboxy 2-hydroxypropanoate;hydride
CID 174466571
diamino 2,3-dimethylbutanedioate
CID 22892701
methyl (2R)-2-hydroxypropanoate;methyl (2S)-2-hydroxypropanoate
CID 76960533
nitroso 2-hydroxypropanoate
CID 123367826
methanol;methyl 2-hydroxypropanoate
CID 157321309
methyl (2S)-2-hydroxypropanoate;hydrochloride
CID 88631623
methyl 2-hydroxypropanoate;hydrochloride
CID 87417627
trimethylplumbyl 2-hydroxypropanoate
CID 16683262
[(2R)-1-hydroxypropan-2-yl] (2S)-2-hydroxypropanoate
CID 167060953
alumane;amino 2,2-dihydroxyacetate
CID 173002516

Frequently Asked Questions

What is the IUPAC name of calcium;amino 2-hydroxypropanoate;hydride?
The IUPAC name of calcium;amino 2-hydroxypropanoate;hydride (CID 173433057) is calcium;amino 2-hydroxypropanoate;hydride.
What is the SMILES notation for calcium;amino 2-hydroxypropanoate;hydride?
The canonical SMILES for calcium;amino 2-hydroxypropanoate;hydride is CC(O)C(=O)ON.[Ca+2].[H-].[H-].
What is the InChIKey of calcium;amino 2-hydroxypropanoate;hydride?
The InChIKey is JPYJTUIXSYLQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO3.Ca.2H/c1-2(5)3(6)7-4;;;/h2,5H,4H2,1H3;;;/q;+2;2*-1.
What are the key properties of calcium;amino 2-hydroxypropanoate;hydride?
calcium;amino 2-hydroxypropanoate;hydride has a molecular weight of 147.19 g/mol, XLogP of -1.37, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;amino 2-hydroxypropanoate;hydride is sourced from PubChem (CID 173433057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).