sodium 3-amino-2-methyl-3-oxopropanoate

C4H6NNaO3 — CID 141024014

IUPACsodium 3-amino-2-methyl-3-oxopropanoate
SMILESCC(C(N)=O)C(=O)[O-].[Na+]
InChIInChI=1S/C4H7NO3.Na/c1-2(3(5)6)4(7)8;/h2H,1H3,(H2,5,6)(H,7,8);/q;+1/p-1
InChIKeyBZDVMZFEFZXQLT-UHFFFAOYSA-M
MW139.09 g/mol
LogP-5.14
Rot. Bonds2

About sodium 3-amino-2-methyl-3-oxopropanoate

sodium 3-amino-2-methyl-3-oxopropanoate (PubChem CID 141024014) has the molecular formula C4H6NNaO3 and a molecular weight of 139.09 g/mol. Its IUPAC name is sodium 3-amino-2-methyl-3-oxopropanoate.

Molecular Properties

Compound Namesodium 3-amino-2-methyl-3-oxopropanoate
PubChem CID141024014
Molecular FormulaC4H6NNaO3
Molecular Weight139.09 g/mol
Exact Mass139.02
IUPAC Namesodium 3-amino-2-methyl-3-oxopropanoate
SMILESCC(C(N)=O)C(=O)[O-].[Na+]
InChIInChI=1S/C4H7NO3.Na/c1-2(3(5)6)4(7)8;/h2H,1H3,(H2,5,6)(H,7,8);/q;+1/p-1
InChIKeyBZDVMZFEFZXQLT-UHFFFAOYSA-M
XLogP-5.14
TPSA83.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.09
LogP ≤ 5-5.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

dilithium;2-methylpropanedioate
CID 87066943
disilver;2-methylpropanedioate
CID 121393244
sodium 2-methyl-3-oxobutanoate
CID 23705742
3-hydroxy-2-methyl-3-oxopropanoate
CID 5461058
N',2-dimethylpropanediamide
CID 19785845
(2S)-2-aminopropanoate
CID 5460980
potassium 2-aminopropanoate
CID 21339510
sodium;pentakis(2-hydroxypropanoate);thorium(4+)
CID 159864305
bis((2S)-2-aminopropanoate);palladium(2+)
CID 86639208
carbanylium;methane;2-methyl-3-oxobutanoate
CID 157226748
3-amino-2-methyl-3-oxopropanoic acid;methylphosphane
CID 174806493
potassium 3-ethoxy-2-methyl-3-oxopropanoate
CID 23679020

Frequently Asked Questions

What is the IUPAC name of sodium 3-amino-2-methyl-3-oxopropanoate?
The IUPAC name of sodium 3-amino-2-methyl-3-oxopropanoate (CID 141024014) is sodium 3-amino-2-methyl-3-oxopropanoate.
What is the SMILES notation for sodium 3-amino-2-methyl-3-oxopropanoate?
The canonical SMILES for sodium 3-amino-2-methyl-3-oxopropanoate is CC(C(N)=O)C(=O)[O-].[Na+].
What is the InChIKey of sodium 3-amino-2-methyl-3-oxopropanoate?
The InChIKey is BZDVMZFEFZXQLT-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H7NO3.Na/c1-2(3(5)6)4(7)8;/h2H,1H3,(H2,5,6)(H,7,8);/q;+1/p-1.
What are the key properties of sodium 3-amino-2-methyl-3-oxopropanoate?
sodium 3-amino-2-methyl-3-oxopropanoate has a molecular weight of 139.09 g/mol, XLogP of -5.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 3-amino-2-methyl-3-oxopropanoate is sourced from PubChem (CID 141024014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).