acetic acid;2-[2-hydroxyethyl(prop-2-enyl)amino]ethanol

C9H19NO4 — CID 87448160

IUPACacetic acid;2-[2-hydroxyethyl(prop-2-enyl)amino]ethanol
SMILESC=CCN(CCO)CCO.CC(=O)O
InChIInChI=1S/C7H15NO2.C2H4O2/c1-2-3-8(4-6-9)5-7-10;1-2(3)4/h2,9-10H,1,3-7H2;1H3,(H,3,4)
InChIKeyXGPRRWPPANKMAQ-UHFFFAOYSA-N
MW205.25 g/mol
LogP-0.45
Rot. Bonds6

About acetic acid;2-[2-hydroxyethyl(prop-2-enyl)amino]ethanol

acetic acid;2-[2-hydroxyethyl(prop-2-enyl)amino]ethanol (PubChem CID 87448160) has the molecular formula C9H19NO4 and a molecular weight of 205.25 g/mol. Its IUPAC name is acetic acid;2-[2-hydroxyethyl(prop-2-enyl)amino]ethanol.

Molecular Properties

Compound Nameacetic acid;2-[2-hydroxyethyl(prop-2-enyl)amino]ethanol
PubChem CID87448160
Molecular FormulaC9H19NO4
Molecular Weight205.25 g/mol
Exact Mass205.13
IUPAC Nameacetic acid;2-[2-hydroxyethyl(prop-2-enyl)amino]ethanol
SMILESC=CCN(CCO)CCO.CC(=O)O
InChIInChI=1S/C7H15NO2.C2H4O2/c1-2-3-8(4-6-9)5-7-10;1-2(3)4/h2,9-10H,1,3-7H2;1H3,(H,3,4)
InChIKeyXGPRRWPPANKMAQ-UHFFFAOYSA-N
XLogP-0.45
TPSA81.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 5-0.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of acetic acid;2-[2-hydroxyethyl(prop-2-enyl)amino]ethanol?
The IUPAC name of acetic acid;2-[2-hydroxyethyl(prop-2-enyl)amino]ethanol (CID 87448160) is acetic acid;2-[2-hydroxyethyl(prop-2-enyl)amino]ethanol.
What is the SMILES notation for acetic acid;2-[2-hydroxyethyl(prop-2-enyl)amino]ethanol?
The canonical SMILES for acetic acid;2-[2-hydroxyethyl(prop-2-enyl)amino]ethanol is C=CCN(CCO)CCO.CC(=O)O.
What is the InChIKey of acetic acid;2-[2-hydroxyethyl(prop-2-enyl)amino]ethanol?
The InChIKey is XGPRRWPPANKMAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2.C2H4O2/c1-2-3-8(4-6-9)5-7-10;1-2(3)4/h2,9-10H,1,3-7H2;1H3,(H,3,4).
What are the key properties of acetic acid;2-[2-hydroxyethyl(prop-2-enyl)amino]ethanol?
acetic acid;2-[2-hydroxyethyl(prop-2-enyl)amino]ethanol has a molecular weight of 205.25 g/mol, XLogP of -0.45, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2-[2-hydroxyethyl(prop-2-enyl)amino]ethanol is sourced from PubChem (CID 87448160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).