azane;bis(2-hydroxypropanoic acid);dihydrate

C6H28N4O8 — CID 175182487

IUPACazane;bis(2-hydroxypropanoic acid);dihydrate
SMILESCC(O)C(=O)O.CC(O)C(=O)O.N.N.N.N.O.O
InChIInChI=1S/2C3H6O3.4H3N.2H2O/c2*1-2(4)3(5)6;;;;;;/h2*2,4H,1H3,(H,5,6);4*1H3;2*1H2
InChIKeyOGHDAYCAUAQWLD-UHFFFAOYSA-N
MW284.31 g/mol
LogP-2.10
Rot. Bonds2

About azane;bis(2-hydroxypropanoic acid);dihydrate

azane;bis(2-hydroxypropanoic acid);dihydrate (PubChem CID 175182487) has the molecular formula C6H28N4O8 and a molecular weight of 284.31 g/mol. Its IUPAC name is azane;bis(2-hydroxypropanoic acid);dihydrate.

Molecular Properties

Compound Nameazane;bis(2-hydroxypropanoic acid);dihydrate
PubChem CID175182487
Molecular FormulaC6H28N4O8
Molecular Weight284.31 g/mol
Exact Mass284.19
IUPAC Nameazane;bis(2-hydroxypropanoic acid);dihydrate
SMILESCC(O)C(=O)O.CC(O)C(=O)O.N.N.N.N.O.O
InChIInChI=1S/2C3H6O3.4H3N.2H2O/c2*1-2(4)3(5)6;;;;;;/h2*2,4H,1H3,(H,5,6);4*1H3;2*1H2
InChIKeyOGHDAYCAUAQWLD-UHFFFAOYSA-N
XLogP-2.10
TPSA318.06 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.31
LogP ≤ 5-2.10
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

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Related Compounds

2-hydroxypropanoic acid;tetrahydrate
CID 141343914
Calciumlactatepentahydrate
CID 87103201
chromium;2-hydroxypropanoic acid;trihydrate
CID 173468651
2-hydroxypropanoic acid
CID 87075455
calcium;hydride;2-hydroxypropanoic acid;tetrahydrate
CID 173372729
calcium;hydride;2-hydroxypropanoic acid;dihydrate
CID 173144735
azane;2-hydroxypropanoic acid;oxotitanium
CID 175450174
CID 11776805
CID 11776805
tetrakis(2-hydroxypropanoic acid);manganese
CID 167442579
CID 131877347
CID 131877347
pentaheptacontacalcium;(2-hydroxypropanoic acid)
CID 173046474
calcium hexakis(2-hydroxypropanoic acid)
CID 162368187

Frequently Asked Questions

What is the IUPAC name of azane;bis(2-hydroxypropanoic acid);dihydrate?
The IUPAC name of azane;bis(2-hydroxypropanoic acid);dihydrate (CID 175182487) is azane;bis(2-hydroxypropanoic acid);dihydrate.
What is the SMILES notation for azane;bis(2-hydroxypropanoic acid);dihydrate?
The canonical SMILES for azane;bis(2-hydroxypropanoic acid);dihydrate is CC(O)C(=O)O.CC(O)C(=O)O.N.N.N.N.O.O.
What is the InChIKey of azane;bis(2-hydroxypropanoic acid);dihydrate?
The InChIKey is OGHDAYCAUAQWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H6O3.4H3N.2H2O/c2*1-2(4)3(5)6;;;;;;/h2*2,4H,1H3,(H,5,6);4*1H3;2*1H2.
What are the key properties of azane;bis(2-hydroxypropanoic acid);dihydrate?
azane;bis(2-hydroxypropanoic acid);dihydrate has a molecular weight of 284.31 g/mol, XLogP of -2.10, 2 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for azane;bis(2-hydroxypropanoic acid);dihydrate is sourced from PubChem (CID 175182487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).