disodium;2-aminopropanoate;methane;molecular hydrogen;2-oxopropanoate

C8H19NNa2O5 — CID 158115198

IUPACdisodium;2-aminopropanoate;methane;molecular hydrogen;2-oxopropanoate
SMILESC.C.CC(=O)C(=O)[O-].CC(N)C(=O)[O-].[H][H].[Na+].[Na+]
InChIInChI=1S/C3H7NO2.C3H4O3.2CH4.2Na.H2/c2*1-2(4)3(5)6;;;;;/h2H,4H2,1H3,(H,5,6);1H3,(H,5,6);2*1H4;;;1H/q;;;;2*+1;/p-2
InChIKeyFQXKSWVAGAMFMH-UHFFFAOYSA-L
MW255.22 g/mol
LogP-8.06
Rot. Bonds2

About disodium;2-aminopropanoate;methane;molecular hydrogen;2-oxopropanoate

disodium;2-aminopropanoate;methane;molecular hydrogen;2-oxopropanoate (PubChem CID 158115198) has the molecular formula C8H19NNa2O5 and a molecular weight of 255.22 g/mol. Its IUPAC name is disodium;2-aminopropanoate;methane;molecular hydrogen;2-oxopropanoate.

Molecular Properties

Compound Namedisodium;2-aminopropanoate;methane;molecular hydrogen;2-oxopropanoate
PubChem CID158115198
Molecular FormulaC8H19NNa2O5
Molecular Weight255.22 g/mol
Exact Mass255.11
IUPAC Namedisodium;2-aminopropanoate;methane;molecular hydrogen;2-oxopropanoate
SMILESC.C.CC(=O)C(=O)[O-].CC(N)C(=O)[O-].[H][H].[Na+].[Na+]
InChIInChI=1S/C3H7NO2.C3H4O3.2CH4.2Na.H2/c2*1-2(4)3(5)6;;;;;/h2H,4H2,1H3,(H,5,6);1H3,(H,5,6);2*1H4;;;1H/q;;;;2*+1;/p-2
InChIKeyFQXKSWVAGAMFMH-UHFFFAOYSA-L
XLogP-8.06
TPSA123.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.22
LogP ≤ 5-8.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

potassium 2-aminopropanoate
CID 21339510
(2S)-2-aminopropanoate
CID 5460980
bis((2S)-2-aminopropanoate);palladium(2+)
CID 86639208
calcium;bis((2S)-2-aminopropanoate);pentahydrate
CID 176654568
2-aminopropanoate;hydron;hydrochloride
CID 173141944
2-aminopropanoate;carbon dioxide
CID 160850245
(2S)-2-amino-5-hydroxy-5-oxopentanoate;(2S)-2-aminopropanoate;5-hydroxy-2,5-dioxopentanoate;2-oxopropanoate
CID 167558156
sodium;2-aminopropanoic acid;acetate
CID 159185216
2-aminopropanoate;carbon monoxide;ruthenium(2+);chloride
CID 10267295
cesium 2-oxopropanoate
CID 23676701
zinc;2-oxopropanoate;trihydrate
CID 18364061
calcium;2-oxopropanoate;trihydrate
CID 18324280

Frequently Asked Questions

What is the IUPAC name of disodium;2-aminopropanoate;methane;molecular hydrogen;2-oxopropanoate?
The IUPAC name of disodium;2-aminopropanoate;methane;molecular hydrogen;2-oxopropanoate (CID 158115198) is disodium;2-aminopropanoate;methane;molecular hydrogen;2-oxopropanoate.
What is the SMILES notation for disodium;2-aminopropanoate;methane;molecular hydrogen;2-oxopropanoate?
The canonical SMILES for disodium;2-aminopropanoate;methane;molecular hydrogen;2-oxopropanoate is C.C.CC(=O)C(=O)[O-].CC(N)C(=O)[O-].[H][H].[Na+].[Na+].
What is the InChIKey of disodium;2-aminopropanoate;methane;molecular hydrogen;2-oxopropanoate?
The InChIKey is FQXKSWVAGAMFMH-UHFFFAOYSA-L. The full InChI is InChI=1S/C3H7NO2.C3H4O3.2CH4.2Na.H2/c2*1-2(4)3(5)6;;;;;/h2H,4H2,1H3,(H,5,6);1H3,(H,5,6);2*1H4;;;1H/q;;;;2*+1;/p-2.
What are the key properties of disodium;2-aminopropanoate;methane;molecular hydrogen;2-oxopropanoate?
disodium;2-aminopropanoate;methane;molecular hydrogen;2-oxopropanoate has a molecular weight of 255.22 g/mol, XLogP of -8.06, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;2-aminopropanoate;methane;molecular hydrogen;2-oxopropanoate is sourced from PubChem (CID 158115198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).