trisodium;(2S)-2-amino-3-hydroxypropanoate;diacetate

C7H12NNa3O7 — CID 141087880

IUPACtrisodium;(2S)-2-amino-3-hydroxypropanoate;diacetate
SMILESCC(=O)[O-].CC(=O)[O-].N[C@@H](CO)C(=O)[O-].[Na+].[Na+].[Na+]
InChIInChI=1S/C3H7NO3.2C2H4O2.3Na/c4-2(1-5)3(6)7;2*1-2(3)4;;;/h2,5H,1,4H2,(H,6,7);2*1H3,(H,3,4);;;/q;;;3*+1/p-3/t2-;;;;;/m0...../s1
InChIKeyQBBKLBIZMSOAFI-PUAMRSTPSA-K
MW291.14 g/mol
LogP-14.42
Rot. Bonds2

About trisodium;(2S)-2-amino-3-hydroxypropanoate;diacetate

trisodium;(2S)-2-amino-3-hydroxypropanoate;diacetate (PubChem CID 141087880) has the molecular formula C7H12NNa3O7 and a molecular weight of 291.14 g/mol. Its IUPAC name is trisodium;(2S)-2-amino-3-hydroxypropanoate;diacetate.

Molecular Properties

Compound Nametrisodium;(2S)-2-amino-3-hydroxypropanoate;diacetate
PubChem CID141087880
Molecular FormulaC7H12NNa3O7
Molecular Weight291.14 g/mol
Exact Mass291.03
IUPAC Nametrisodium;(2S)-2-amino-3-hydroxypropanoate;diacetate
SMILESCC(=O)[O-].CC(=O)[O-].N[C@@H](CO)C(=O)[O-].[Na+].[Na+].[Na+]
InChIInChI=1S/C3H7NO3.2C2H4O2.3Na/c4-2(1-5)3(6)7;2*1-2(3)4;;;/h2,5H,1,4H2,(H,6,7);2*1H3,(H,3,4);;;/q;;;3*+1/p-3/t2-;;;;;/m0...../s1
InChIKeyQBBKLBIZMSOAFI-PUAMRSTPSA-K
XLogP-14.42
TPSA166.64 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.14
LogP ≤ 5-14.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

sodium 2-amino-3-hydroxypropanoate
CID 23676048
(2R)-2-amino-3-hydroxypropanoate
CID 5460788
tetrasodium;2-aminopentanedioate;diacetate
CID 18668480
disodium;acetic acid;(2S)-2-aminobutanedioate
CID 163675970
(2S)-2-amino-3-hydroxypropanoate;2-hydroxyethyl(trimethyl)azanium
CID 87276262
disodium;2-aminobutanedioate
CID 172873588
(2S)-2-amino-3-hydroxypropanoate;tetrabutylazanium
CID 129151381
(3S)-3-amino-4-hydroxybutan-2-one
CID 91337493
sodium;propane-1,2-diol;acetate
CID 88844727
2-aminobutanedioate
CID 4519554
disodium;2-aminopentanedioate;ethane-1,2-diol
CID 174730127
dicesium;(2S)-2-aminobutanedioate
CID 11639845

Frequently Asked Questions

What is the IUPAC name of trisodium;(2S)-2-amino-3-hydroxypropanoate;diacetate?
The IUPAC name of trisodium;(2S)-2-amino-3-hydroxypropanoate;diacetate (CID 141087880) is trisodium;(2S)-2-amino-3-hydroxypropanoate;diacetate.
What is the SMILES notation for trisodium;(2S)-2-amino-3-hydroxypropanoate;diacetate?
The canonical SMILES for trisodium;(2S)-2-amino-3-hydroxypropanoate;diacetate is CC(=O)[O-].CC(=O)[O-].N[C@@H](CO)C(=O)[O-].[Na+].[Na+].[Na+].
What is the InChIKey of trisodium;(2S)-2-amino-3-hydroxypropanoate;diacetate?
The InChIKey is QBBKLBIZMSOAFI-PUAMRSTPSA-K. The full InChI is InChI=1S/C3H7NO3.2C2H4O2.3Na/c4-2(1-5)3(6)7;2*1-2(3)4;;;/h2,5H,1,4H2,(H,6,7);2*1H3,(H,3,4);;;/q;;;3*+1/p-3/t2-;;;;;/m0...../s1.
What are the key properties of trisodium;(2S)-2-amino-3-hydroxypropanoate;diacetate?
trisodium;(2S)-2-amino-3-hydroxypropanoate;diacetate has a molecular weight of 291.14 g/mol, XLogP of -14.42, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for trisodium;(2S)-2-amino-3-hydroxypropanoate;diacetate is sourced from PubChem (CID 141087880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).