2-hydroxyethyl-dimethyl-prop-2-enylazanium;propanoate

C10H21NO3 — CID 88614993

IUPAC2-hydroxyethyl-dimethyl-prop-2-enylazanium;propanoate
SMILESC=CC[N+](C)(C)CCO.CCC(=O)[O-]
InChIInChI=1S/C7H16NO.C3H6O2/c1-4-5-8(2,3)6-7-9;1-2-3(4)5/h4,9H,1,5-7H2,2-3H3;2H2,1H3,(H,4,5)/q+1;/p-1
InChIKeyLYNGCGLDGGNIAQ-UHFFFAOYSA-M
MW203.28 g/mol
LogP-0.61
Rot. Bonds5

About 2-hydroxyethyl-dimethyl-prop-2-enylazanium;propanoate

2-hydroxyethyl-dimethyl-prop-2-enylazanium;propanoate (PubChem CID 88614993) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is 2-hydroxyethyl-dimethyl-prop-2-enylazanium;propanoate.

Molecular Properties

Compound Name2-hydroxyethyl-dimethyl-prop-2-enylazanium;propanoate
PubChem CID88614993
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name2-hydroxyethyl-dimethyl-prop-2-enylazanium;propanoate
SMILESC=CC[N+](C)(C)CCO.CCC(=O)[O-]
InChIInChI=1S/C7H16NO.C3H6O2/c1-4-5-8(2,3)6-7-9;1-2-3(4)5/h4,9H,1,5-7H2,2-3H3;2H2,1H3,(H,4,5)/q+1;/p-1
InChIKeyLYNGCGLDGGNIAQ-UHFFFAOYSA-M
XLogP-0.61
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 5-0.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

2-Propen-1-amine, N-methyl-N-2-propen-1-yl-, acetate (1:1)
CID 109927
2-[Bis(prop-2-enyl)amino]ethyl acetate
CID 58105020
2-(Diethylamino)ethanol;prop-2-enoic acid
CID 20336209
2-Hydroxyethyl(trimethyl)azanium;prop-2-enoate
CID 22459496
Bis(2-hydroxyethyl)-methyl-prop-2-enylazanium
CID 67127300
2-[2-Hydroxyethyl(prop-2-enyl)amino]acetic acid
CID 78967532
2-[1-Hydroxyethyl(prop-2-enyl)amino]acetic acid
CID 87065186
2-[bis[(E)-but-2-enyl]amino]acetic acid
CID 87145618
2-Hydroxyethyl(tripropyl)azanium;prop-2-enoate
CID 87375036
Prop-2-enoate;triethyl(2-hydroxyethyl)azanium
CID 87376254
Acetic acid;2-[2-hydroxyethyl(prop-2-enyl)amino]ethanol
CID 87448160
Carboxymethyl-(2-hydroxyethyl)-(2-hydroxyprop-2-enyl)-methylazanium
CID 87499916

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl-dimethyl-prop-2-enylazanium;propanoate?
The IUPAC name of 2-hydroxyethyl-dimethyl-prop-2-enylazanium;propanoate (CID 88614993) is 2-hydroxyethyl-dimethyl-prop-2-enylazanium;propanoate.
What is the SMILES notation for 2-hydroxyethyl-dimethyl-prop-2-enylazanium;propanoate?
The canonical SMILES for 2-hydroxyethyl-dimethyl-prop-2-enylazanium;propanoate is C=CC[N+](C)(C)CCO.CCC(=O)[O-].
What is the InChIKey of 2-hydroxyethyl-dimethyl-prop-2-enylazanium;propanoate?
The InChIKey is LYNGCGLDGGNIAQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H16NO.C3H6O2/c1-4-5-8(2,3)6-7-9;1-2-3(4)5/h4,9H,1,5-7H2,2-3H3;2H2,1H3,(H,4,5)/q+1;/p-1.
What are the key properties of 2-hydroxyethyl-dimethyl-prop-2-enylazanium;propanoate?
2-hydroxyethyl-dimethyl-prop-2-enylazanium;propanoate has a molecular weight of 203.28 g/mol, XLogP of -0.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl-dimethyl-prop-2-enylazanium;propanoate is sourced from PubChem (CID 88614993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).