sodium 2-(carboxyamino)acetate

C3H4NNaO4 — CID 58758121

IUPACsodium 2-(carboxyamino)acetate
SMILESO=C([O-])CNC(=O)O.[Na+]
InChIInChI=1S/C3H5NO4.Na/c5-2(6)1-4-3(7)8;/h4H,1H2,(H,5,6)(H,7,8);/q;+1/p-1
InChIKeyJXGXWRMYCMJHQT-UHFFFAOYSA-M
MW141.06 g/mol
LogP-4.99
Rot. Bonds2

About sodium 2-(carboxyamino)acetate

sodium 2-(carboxyamino)acetate (PubChem CID 58758121) has the molecular formula C3H4NNaO4 and a molecular weight of 141.06 g/mol. Its IUPAC name is sodium 2-(carboxyamino)acetate.

Molecular Properties

Compound Namesodium 2-(carboxyamino)acetate
PubChem CID58758121
Molecular FormulaC3H4NNaO4
Molecular Weight141.06 g/mol
Exact Mass141.00
IUPAC Namesodium 2-(carboxyamino)acetate
SMILESO=C([O-])CNC(=O)O.[Na+]
InChIInChI=1S/C3H5NO4.Na/c5-2(6)1-4-3(7)8;/h4H,1H2,(H,5,6)(H,7,8);/q;+1/p-1
InChIKeyJXGXWRMYCMJHQT-UHFFFAOYSA-M
XLogP-4.99
TPSA89.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.06
LogP ≤ 5-4.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tetrasodium bis(2-(carboxylatomethylamino)acetate)
CID 141397482
tetrasodium;tetrakis(2-(carboxymethylamino)acetate)
CID 141289708
2-acetamidoacetate;chromium(3+)
CID 161474806
disodium;2-[(carboxyamino)methyl-(carboxylatomethyl)amino]acetate
CID 141044927
disodium;acetic acid;2-(methylamino)acetate;acetate
CID 173189557
sodium 2-[[(2R)-2-sulfanylpropanoyl]amino]acetate
CID 76968776
azanium 2-[(2-aminoacetyl)amino]acetate
CID 172849097
(3-methyl-2-oxobut-3-enyl)carbamic acid
CID 22435573
diazanium;2-(carboxylatomethylamino)acetate
CID 18769481
2-[[2-[[2-[(2-azaniumylacetyl)amino]acetyl]amino]acetyl]amino]acetate
CID 139198513
2-(cyclopropanecarbonylamino)acetate
CID 6997226
2-oxobutylcarbamic acid
CID 87278919

Frequently Asked Questions

What is the IUPAC name of sodium 2-(carboxyamino)acetate?
The IUPAC name of sodium 2-(carboxyamino)acetate (CID 58758121) is sodium 2-(carboxyamino)acetate.
What is the SMILES notation for sodium 2-(carboxyamino)acetate?
The canonical SMILES for sodium 2-(carboxyamino)acetate is O=C([O-])CNC(=O)O.[Na+].
What is the InChIKey of sodium 2-(carboxyamino)acetate?
The InChIKey is JXGXWRMYCMJHQT-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H5NO4.Na/c5-2(6)1-4-3(7)8;/h4H,1H2,(H,5,6)(H,7,8);/q;+1/p-1.
What are the key properties of sodium 2-(carboxyamino)acetate?
sodium 2-(carboxyamino)acetate has a molecular weight of 141.06 g/mol, XLogP of -4.99, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-(carboxyamino)acetate is sourced from PubChem (CID 58758121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).