2-(2-hydroxyethoxyamino)oxyethanol;1-(prop-2-enoylamino)propane-2-sulfonic acid

C10H22N2O8S — CID 88818934

IUPAC2-(2-hydroxyethoxyamino)oxyethanol;1-(prop-2-enoylamino)propane-2-sulfonic acid
SMILESC=CC(=O)NCC(C)S(=O)(=O)O.OCCONOCCO
InChIInChI=1S/C6H11NO4S.C4H11NO4/c1-3-6(8)7-4-5(2)12(9,10)11;6-1-3-8-5-9-4-2-7/h3,5H,1,4H2,2H3,(H,7,8)(H,9,10,11);5-7H,1-4H2
InChIKeySZGYZLCGLIXKCU-UHFFFAOYSA-N
MW330.36 g/mol
LogP-2.01
Rot. Bonds10

About 2-(2-hydroxyethoxyamino)oxyethanol;1-(prop-2-enoylamino)propane-2-sulfonic acid

2-(2-hydroxyethoxyamino)oxyethanol;1-(prop-2-enoylamino)propane-2-sulfonic acid (PubChem CID 88818934) has the molecular formula C10H22N2O8S and a molecular weight of 330.36 g/mol. Its IUPAC name is 2-(2-hydroxyethoxyamino)oxyethanol;1-(prop-2-enoylamino)propane-2-sulfonic acid.

Molecular Properties

Compound Name2-(2-hydroxyethoxyamino)oxyethanol;1-(prop-2-enoylamino)propane-2-sulfonic acid
PubChem CID88818934
Molecular FormulaC10H22N2O8S
Molecular Weight330.36 g/mol
Exact Mass330.11
IUPAC Name2-(2-hydroxyethoxyamino)oxyethanol;1-(prop-2-enoylamino)propane-2-sulfonic acid
SMILESC=CC(=O)NCC(C)S(=O)(=O)O.OCCONOCCO
InChIInChI=1S/C6H11NO4S.C4H11NO4/c1-3-6(8)7-4-5(2)12(9,10)11;6-1-3-8-5-9-4-2-7/h3,5H,1,4H2,2H3,(H,7,8)(H,9,10,11);5-7H,1-4H2
InChIKeySZGYZLCGLIXKCU-UHFFFAOYSA-N
XLogP-2.01
TPSA154.42 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 5-2.01
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

6-(prop-2-enoylamino)hexane-2-sulfonic acid
CID 87770315
N-(2-aminopropyl)prop-2-enamide
CID 19993421
sodium;carbanide;2-(2-hydroxyethoxyamino)oxyethanol;prop-2-enoic acid
CID 174822992
2-hydroxyethyl prop-2-enoate;2-methyl-1-(prop-2-enoylamino)propane-1-sulfonic acid
CID 87477027
N-[2-methoxy-3-(prop-2-enoylamino)propyl]prop-2-enamide
CID 129044196
formic acid;N-(2-methylpropyl)prop-2-enamide
CID 174936612
dodecan-1-ol;2-(2-hydroxyethoxyamino)oxyethanol;sulfuric acid
CID 174294727
4-(prop-2-enoylamino)butane-1,3-disulfonic acid
CID 175912140
phosphanylformic acid;prop-2-enoic acid;1-(prop-2-enoylamino)butane-2-sulfonic acid
CID 161171122
N-(2,3,3-trimethylbutyl)prop-2-enamide
CID 83142372
N-(2,2-dihydroxyethyl)prop-2-enamide
CID 22929468
1-(prop-2-enoylamino)ethanesulfonic acid
CID 18361641

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethoxyamino)oxyethanol;1-(prop-2-enoylamino)propane-2-sulfonic acid?
The IUPAC name of 2-(2-hydroxyethoxyamino)oxyethanol;1-(prop-2-enoylamino)propane-2-sulfonic acid (CID 88818934) is 2-(2-hydroxyethoxyamino)oxyethanol;1-(prop-2-enoylamino)propane-2-sulfonic acid.
What is the SMILES notation for 2-(2-hydroxyethoxyamino)oxyethanol;1-(prop-2-enoylamino)propane-2-sulfonic acid?
The canonical SMILES for 2-(2-hydroxyethoxyamino)oxyethanol;1-(prop-2-enoylamino)propane-2-sulfonic acid is C=CC(=O)NCC(C)S(=O)(=O)O.OCCONOCCO.
What is the InChIKey of 2-(2-hydroxyethoxyamino)oxyethanol;1-(prop-2-enoylamino)propane-2-sulfonic acid?
The InChIKey is SZGYZLCGLIXKCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO4S.C4H11NO4/c1-3-6(8)7-4-5(2)12(9,10)11;6-1-3-8-5-9-4-2-7/h3,5H,1,4H2,2H3,(H,7,8)(H,9,10,11);5-7H,1-4H2.
What are the key properties of 2-(2-hydroxyethoxyamino)oxyethanol;1-(prop-2-enoylamino)propane-2-sulfonic acid?
2-(2-hydroxyethoxyamino)oxyethanol;1-(prop-2-enoylamino)propane-2-sulfonic acid has a molecular weight of 330.36 g/mol, XLogP of -2.01, 10 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethoxyamino)oxyethanol;1-(prop-2-enoylamino)propane-2-sulfonic acid is sourced from PubChem (CID 88818934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).