2-hydroxypropanoate;oxoazanium;acetate

C5H12N2O7 — CID 140813979

IUPAC2-hydroxypropanoate;oxoazanium;acetate
SMILESCC(=O)[O-].CC(O)C(=O)[O-].[NH2+]=O.[NH2+]=O
InChIInChI=1S/C3H6O3.C2H4O2.2H2NO/c1-2(4)3(5)6;1-2(3)4;2*1-2/h2,4H,1H3,(H,5,6);1H3,(H,3,4);2*1H2/q;;2*+1/p-2
InChIKeyOANUNJIVHYVPCS-UHFFFAOYSA-L
MW212.16 g/mol
LogP-6.10
Rot. Bonds1

About 2-hydroxypropanoate;oxoazanium;acetate

2-hydroxypropanoate;oxoazanium;acetate (PubChem CID 140813979) has the molecular formula C5H12N2O7 and a molecular weight of 212.16 g/mol. Its IUPAC name is 2-hydroxypropanoate;oxoazanium;acetate.

Molecular Properties

Compound Name2-hydroxypropanoate;oxoazanium;acetate
PubChem CID140813979
Molecular FormulaC5H12N2O7
Molecular Weight212.16 g/mol
Exact Mass212.06
IUPAC Name2-hydroxypropanoate;oxoazanium;acetate
SMILESCC(=O)[O-].CC(O)C(=O)[O-].[NH2+]=O.[NH2+]=O
InChIInChI=1S/C3H6O3.C2H4O2.2H2NO/c1-2(4)3(5)6;1-2(3)4;2*1-2/h2,4H,1H3,(H,5,6);1H3,(H,3,4);2*1H2/q;;2*+1/p-2
InChIKeyOANUNJIVHYVPCS-UHFFFAOYSA-L
XLogP-6.10
TPSA185.81 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.16
LogP ≤ 5-6.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-hydroxypropanoate;iridium(3+);acetate
CID 157323915
iodanium 2-hydroxypropanoate
CID 158316585
copper bis(2-hydroxypropanoate)
CID 13145
aluminum tris((2R)-2-hydroxypropanoate)
CID 175713416
potassium 2-hydroxypropanoate
CID 23671663
silver (2R)-2-hydroxypropanoate
CID 14178856
tris(2-hydroxypropanoate);zirconium(3+)
CID 3048680
2-hydroxypropanoate;tantalum(5+)
CID 172796362
strontium bis(2-hydroxypropanoate)
CID 91886528
bis(2-hydroxypropanoate);nickel(2+)
CID 15920056
gold(3+);tris(2-hydroxypropanoate)
CID 157164422
tris(2-hydroxypropanoate);yttrium(3+)
CID 14619044

Frequently Asked Questions

What is the IUPAC name of 2-hydroxypropanoate;oxoazanium;acetate?
The IUPAC name of 2-hydroxypropanoate;oxoazanium;acetate (CID 140813979) is 2-hydroxypropanoate;oxoazanium;acetate.
What is the SMILES notation for 2-hydroxypropanoate;oxoazanium;acetate?
The canonical SMILES for 2-hydroxypropanoate;oxoazanium;acetate is CC(=O)[O-].CC(O)C(=O)[O-].[NH2+]=O.[NH2+]=O.
What is the InChIKey of 2-hydroxypropanoate;oxoazanium;acetate?
The InChIKey is OANUNJIVHYVPCS-UHFFFAOYSA-L. The full InChI is InChI=1S/C3H6O3.C2H4O2.2H2NO/c1-2(4)3(5)6;1-2(3)4;2*1-2/h2,4H,1H3,(H,5,6);1H3,(H,3,4);2*1H2/q;;2*+1/p-2.
What are the key properties of 2-hydroxypropanoate;oxoazanium;acetate?
2-hydroxypropanoate;oxoazanium;acetate has a molecular weight of 212.16 g/mol, XLogP of -6.10, 1 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxypropanoate;oxoazanium;acetate is sourced from PubChem (CID 140813979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).