sodium;2-aminopropanoic acid;acetate

C5H10NNaO4 — CID 159185216

IUPACsodium;2-aminopropanoic acid;acetate
SMILESCC(=O)[O-].CC(N)C(=O)O.[Na+]
InChIInChI=1S/C3H7NO2.C2H4O2.Na/c1-2(4)3(5)6;1-2(3)4;/h2H,4H2,1H3,(H,5,6);1H3,(H,3,4);/q;;+1/p-1
InChIKeyKNKCGIFLNXQBDF-UHFFFAOYSA-M
MW171.13 g/mol
LogP-4.82
Rot. Bonds1

About sodium;2-aminopropanoic acid;acetate

sodium;2-aminopropanoic acid;acetate (PubChem CID 159185216) has the molecular formula C5H10NNaO4 and a molecular weight of 171.13 g/mol. Its IUPAC name is sodium;2-aminopropanoic acid;acetate.

Molecular Properties

Compound Namesodium;2-aminopropanoic acid;acetate
PubChem CID159185216
Molecular FormulaC5H10NNaO4
Molecular Weight171.13 g/mol
Exact Mass171.05
IUPAC Namesodium;2-aminopropanoic acid;acetate
SMILESCC(=O)[O-].CC(N)C(=O)O.[Na+]
InChIInChI=1S/C3H7NO2.C2H4O2.Na/c1-2(4)3(5)6;1-2(3)4;/h2H,4H2,1H3,(H,5,6);1H3,(H,3,4);/q;;+1/p-1
InChIKeyKNKCGIFLNXQBDF-UHFFFAOYSA-M
XLogP-4.82
TPSA103.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.13
LogP ≤ 5-4.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

trisodium;(2S)-2-aminopropanoic acid;hydride
CID 174824458
acetic acid;(2S)-2-aminopropanoic acid
CID 87112640
acetic acid;(2S)-2-aminopropanoic acid
CID 87950802
(2S)-2-aminopropanoic acid
CID 18446182
(2S)-2-aminopropanoic acid
CID 5950
(2R)-2-aminopropanoic acid
CID 18611140
acetic acid;2-aminopropanoic acid;azane
CID 175391326
CID 86589108
CID 86589108
tris(2-aminopropanoic acid);cobalt
CID 50909705
(2R)-2-aminopropanoic acid;phosphane
CID 157319334
(2S)-2-aminopropanoic acid;polane
CID 173022618
potassium;2-aminopropanoic acid;hydride
CID 173162937

Frequently Asked Questions

What is the IUPAC name of sodium;2-aminopropanoic acid;acetate?
The IUPAC name of sodium;2-aminopropanoic acid;acetate (CID 159185216) is sodium;2-aminopropanoic acid;acetate.
What is the SMILES notation for sodium;2-aminopropanoic acid;acetate?
The canonical SMILES for sodium;2-aminopropanoic acid;acetate is CC(=O)[O-].CC(N)C(=O)O.[Na+].
What is the InChIKey of sodium;2-aminopropanoic acid;acetate?
The InChIKey is KNKCGIFLNXQBDF-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H7NO2.C2H4O2.Na/c1-2(4)3(5)6;1-2(3)4;/h2H,4H2,1H3,(H,5,6);1H3,(H,3,4);/q;;+1/p-1.
What are the key properties of sodium;2-aminopropanoic acid;acetate?
sodium;2-aminopropanoic acid;acetate has a molecular weight of 171.13 g/mol, XLogP of -4.82, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2-aminopropanoic acid;acetate is sourced from PubChem (CID 159185216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).