2-aminoacetic acid;2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonic acid

C10H23N3O6S — CID 22386274

IUPAC2-aminoacetic acid;2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonic acid
SMILESNCC(=O)O.O=S(=O)(O)CCN1CCN(CCO)CC1
InChIInChI=1S/C8H18N2O4S.C2H5NO2/c11-7-5-9-1-3-10(4-2-9)6-8-15(12,13)14;3-1-2(4)5/h11H,1-8H2,(H,12,13,14);1,3H2,(H,4,5)
InChIKeyAWCARQXLTIUXBJ-UHFFFAOYSA-N
MW313.38 g/mol
LogP-2.49
Rot. Bonds6

About 2-aminoacetic acid;2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonic acid

2-aminoacetic acid;2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonic acid (PubChem CID 22386274) has the molecular formula C10H23N3O6S and a molecular weight of 313.38 g/mol. Its IUPAC name is 2-aminoacetic acid;2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonic acid.

Molecular Properties

Compound Name2-aminoacetic acid;2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonic acid
PubChem CID22386274
Molecular FormulaC10H23N3O6S
Molecular Weight313.38 g/mol
Exact Mass313.13
IUPAC Name2-aminoacetic acid;2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonic acid
SMILESNCC(=O)O.O=S(=O)(O)CCN1CCN(CCO)CC1
InChIInChI=1S/C8H18N2O4S.C2H5NO2/c11-7-5-9-1-3-10(4-2-9)6-8-15(12,13)14;3-1-2(4)5/h11H,1-8H2,(H,12,13,14);1,3H2,(H,4,5)
InChIKeyAWCARQXLTIUXBJ-UHFFFAOYSA-N
XLogP-2.49
TPSA144.40 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 5-2.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(2-Hydroxyethyl)piperazin-1-ium-1-yl]ethanesulfonic acid
CID 18937506
2-[4-(2-Hydroxyethyl)piperazin-4-ium-1-yl]ethanesulfonic acid
CID 24941255
2-[4-(2-Hydroxyethyl)piperazine-1,4-diium-1-yl]ethanesulfonic acid
CID 172877919
2-[(2-Aminoacetyl)amino]acetic acid;2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonic acid
CID 21093307
3-[4-(2-Hydroxyethyl)piperazin-1-yl]sulfonylpropanoic acid
CID 43501357
2-[4-[2-(2-Aminoacetyl)oxyethyl]piperazin-1-yl]ethanesulfonic acid
CID 53989136
Carbonic acid;2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonic acid
CID 87057696
Azane;2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonic acid
CID 87552558
Sodium;2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonic acid;acetate
CID 88211614
2-Aminoacetamide;2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonic acid
CID 88242950
2-[4-(2-Hydroxyethyl)piperazin-1-yl]ethanesulfonic acid;propanoic acid
CID 88293767
(2R)-2-amino-3-sulfanylpropanoic acid;2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonic acid
CID 89307159

Frequently Asked Questions

What is the IUPAC name of 2-aminoacetic acid;2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonic acid?
The IUPAC name of 2-aminoacetic acid;2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonic acid (CID 22386274) is 2-aminoacetic acid;2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonic acid.
What is the SMILES notation for 2-aminoacetic acid;2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonic acid?
The canonical SMILES for 2-aminoacetic acid;2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonic acid is NCC(=O)O.O=S(=O)(O)CCN1CCN(CCO)CC1.
What is the InChIKey of 2-aminoacetic acid;2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonic acid?
The InChIKey is AWCARQXLTIUXBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O4S.C2H5NO2/c11-7-5-9-1-3-10(4-2-9)6-8-15(12,13)14;3-1-2(4)5/h11H,1-8H2,(H,12,13,14);1,3H2,(H,4,5).
What are the key properties of 2-aminoacetic acid;2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonic acid?
2-aminoacetic acid;2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonic acid has a molecular weight of 313.38 g/mol, XLogP of -2.49, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoacetic acid;2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonic acid is sourced from PubChem (CID 22386274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).