2-aminoacetic acid;2-aminoethanesulfonic acid;2-aminopropanoic acid

C7H19N3O7S — CID 18183618

IUPAC2-aminoacetic acid;2-aminoethanesulfonic acid;2-aminopropanoic acid
SMILESCC(N)C(=O)O.NCC(=O)O.NCCS(=O)(=O)O
InChIInChI=1S/C3H7NO2.C2H7NO3S.C2H5NO2/c1-2(4)3(5)6;3-1-2-7(4,5)6;3-1-2(4)5/h2H,4H2,1H3,(H,5,6);1-3H2,(H,4,5,6);1,3H2,(H,4,5)
InChIKeyPKMJFEYBPUTBJN-UHFFFAOYSA-N
MW289.31 g/mol
LogP-2.72
Rot. Bonds4

About 2-aminoacetic acid;2-aminoethanesulfonic acid;2-aminopropanoic acid

2-aminoacetic acid;2-aminoethanesulfonic acid;2-aminopropanoic acid (PubChem CID 18183618) has the molecular formula C7H19N3O7S and a molecular weight of 289.31 g/mol. Its IUPAC name is 2-aminoacetic acid;2-aminoethanesulfonic acid;2-aminopropanoic acid.

Molecular Properties

Compound Name2-aminoacetic acid;2-aminoethanesulfonic acid;2-aminopropanoic acid
PubChem CID18183618
Molecular FormulaC7H19N3O7S
Molecular Weight289.31 g/mol
Exact Mass289.09
IUPAC Name2-aminoacetic acid;2-aminoethanesulfonic acid;2-aminopropanoic acid
SMILESCC(N)C(=O)O.NCC(=O)O.NCCS(=O)(=O)O
InChIInChI=1S/C3H7NO2.C2H7NO3S.C2H5NO2/c1-2(4)3(5)6;3-1-2-7(4,5)6;3-1-2(4)5/h2H,4H2,1H3,(H,5,6);1-3H2,(H,4,5,6);1,3H2,(H,4,5)
InChIKeyPKMJFEYBPUTBJN-UHFFFAOYSA-N
XLogP-2.72
TPSA207.03 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.31
LogP ≤ 5-2.72
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-aminoacetic acid;2-aminoethanesulfonic acid;2-aminopropanoic acid?
The IUPAC name of 2-aminoacetic acid;2-aminoethanesulfonic acid;2-aminopropanoic acid (CID 18183618) is 2-aminoacetic acid;2-aminoethanesulfonic acid;2-aminopropanoic acid.
What is the SMILES notation for 2-aminoacetic acid;2-aminoethanesulfonic acid;2-aminopropanoic acid?
The canonical SMILES for 2-aminoacetic acid;2-aminoethanesulfonic acid;2-aminopropanoic acid is CC(N)C(=O)O.NCC(=O)O.NCCS(=O)(=O)O.
What is the InChIKey of 2-aminoacetic acid;2-aminoethanesulfonic acid;2-aminopropanoic acid?
The InChIKey is PKMJFEYBPUTBJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO2.C2H7NO3S.C2H5NO2/c1-2(4)3(5)6;3-1-2-7(4,5)6;3-1-2(4)5/h2H,4H2,1H3,(H,5,6);1-3H2,(H,4,5,6);1,3H2,(H,4,5).
What are the key properties of 2-aminoacetic acid;2-aminoethanesulfonic acid;2-aminopropanoic acid?
2-aminoacetic acid;2-aminoethanesulfonic acid;2-aminopropanoic acid has a molecular weight of 289.31 g/mol, XLogP of -2.72, 4 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoacetic acid;2-aminoethanesulfonic acid;2-aminopropanoic acid is sourced from PubChem (CID 18183618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).