2-(carboxylatomethylazaniumyl)acetate

C4H6NO4- — CID 6995749

IUPAC2-(carboxylatomethylazaniumyl)acetate
SMILESO=C([O-])C[NH2+]CC(=O)[O-]
InChIInChI=1S/C4H7NO4/c6-3(7)1-5-2-4(8)9/h5H,1-2H2,(H,6,7)(H,8,9)/p-1
InChIKeyNBZBKCUXIYYUSX-UHFFFAOYSA-M
MW132.09 g/mol
LogP-4.95
Rot. Bonds4

About 2-(carboxylatomethylazaniumyl)acetate

2-(carboxylatomethylazaniumyl)acetate (PubChem CID 6995749) has the molecular formula C4H6NO4- and a molecular weight of 132.09 g/mol. Its IUPAC name is 2-(carboxylatomethylazaniumyl)acetate.

Molecular Properties

Compound Name2-(carboxylatomethylazaniumyl)acetate
PubChem CID6995749
Molecular FormulaC4H6NO4-
Molecular Weight132.09 g/mol
Exact Mass132.03
IUPAC Name2-(carboxylatomethylazaniumyl)acetate
SMILESO=C([O-])C[NH2+]CC(=O)[O-]
InChIInChI=1S/C4H7NO4/c6-3(7)1-5-2-4(8)9/h5H,1-2H2,(H,6,7)(H,8,9)/p-1
InChIKeyNBZBKCUXIYYUSX-UHFFFAOYSA-M
XLogP-4.95
TPSA96.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.09
LogP ≤ 5-4.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Iminodiacetic acid
CID 8897
(Methylazaniumyl)acetate
CID 7311726
(Dimethylammonio)acetate
CID 6971056
Sodium Sarcosinate
CID 23667259
Sarcosinate
CID 9543102
Iminodiacetic acid, disodium salt
CID 13575
Iminodiacetate
CID 3344189
(Ethylammonio)acetate
CID 6992079
Ammoniodiacetate
CID 3614581
Iminodiacetic acid, monosodium
CID 23681167
Sodium iminodiacetate dibasic monohydrate
CID 12520792
Nickel, (N-((carboxy-kappaO)methyl)glycinato(2-)-kappaN,kappaO)-
CID 83782

Frequently Asked Questions

What is the IUPAC name of 2-(carboxylatomethylazaniumyl)acetate?
The IUPAC name of 2-(carboxylatomethylazaniumyl)acetate (CID 6995749) is 2-(carboxylatomethylazaniumyl)acetate.
What is the SMILES notation for 2-(carboxylatomethylazaniumyl)acetate?
The canonical SMILES for 2-(carboxylatomethylazaniumyl)acetate is O=C([O-])C[NH2+]CC(=O)[O-].
What is the InChIKey of 2-(carboxylatomethylazaniumyl)acetate?
The InChIKey is NBZBKCUXIYYUSX-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H7NO4/c6-3(7)1-5-2-4(8)9/h5H,1-2H2,(H,6,7)(H,8,9)/p-1.
What are the key properties of 2-(carboxylatomethylazaniumyl)acetate?
2-(carboxylatomethylazaniumyl)acetate has a molecular weight of 132.09 g/mol, XLogP of -4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carboxylatomethylazaniumyl)acetate is sourced from PubChem (CID 6995749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).