2-(dimethylamino)ethanol;2-methylprop-2-enoic acid

C8H17NO3 — CID 21443782

IUPAC2-(dimethylamino)ethanol;2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)O.CN(C)CCO
InChIInChI=1S/C4H11NO.C4H6O2/c1-5(2)3-4-6;1-3(2)4(5)6/h6H,3-4H2,1-2H3;1H2,2H3,(H,5,6)
InChIKeyASJRTEZPWVREEA-UHFFFAOYSA-N
MW175.23 g/mol
LogP0.19
Rot. Bonds3

About 2-(dimethylamino)ethanol;2-methylprop-2-enoic acid

2-(dimethylamino)ethanol;2-methylprop-2-enoic acid (PubChem CID 21443782) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is 2-(dimethylamino)ethanol;2-methylprop-2-enoic acid.

Molecular Properties

Compound Name2-(dimethylamino)ethanol;2-methylprop-2-enoic acid
PubChem CID21443782
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Name2-(dimethylamino)ethanol;2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)O.CN(C)CCO
InChIInChI=1S/C4H11NO.C4H6O2/c1-5(2)3-4-6;1-3(2)4(5)6/h6H,3-4H2,1-2H3;1H2,2H3,(H,5,6)
InChIKeyASJRTEZPWVREEA-UHFFFAOYSA-N
XLogP0.19
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-(Dimethylamino)ethanol;ethene;prop-2-enoic acid
CID 170063
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2-(Dimethylamino)ethyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid
CID 87705310
2-(Aziridin-1-yl)ethanol;methyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid
CID 6455607
2-(Dimethylamino)ethyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid
CID 87091003
2-(Diethylamino)ethyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid
CID 87194108
Methoxyethyltrimethylammonium methacrylate
CID 172432243
Einecs 265-778-8
CID 6455140
2-[N-(2-hydroxyethyl)-N-methylaminomethyl]-propenoic acid
CID 53685135
2-[[Ethyl(2-hydroxyethyl)amino]methyl]prop-2-enoic acid
CID 53940062
2-[[Bis(2-hydroxypropyl)amino]methyl]prop-2-enoic acid
CID 86205550
N,N-dimethylethanamine;2-methylprop-2-enoic acid
CID 13742945

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethanol;2-methylprop-2-enoic acid?
The IUPAC name of 2-(dimethylamino)ethanol;2-methylprop-2-enoic acid (CID 21443782) is 2-(dimethylamino)ethanol;2-methylprop-2-enoic acid.
What is the SMILES notation for 2-(dimethylamino)ethanol;2-methylprop-2-enoic acid?
The canonical SMILES for 2-(dimethylamino)ethanol;2-methylprop-2-enoic acid is C=C(C)C(=O)O.CN(C)CCO.
What is the InChIKey of 2-(dimethylamino)ethanol;2-methylprop-2-enoic acid?
The InChIKey is ASJRTEZPWVREEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO.C4H6O2/c1-5(2)3-4-6;1-3(2)4(5)6/h6H,3-4H2,1-2H3;1H2,2H3,(H,5,6).
What are the key properties of 2-(dimethylamino)ethanol;2-methylprop-2-enoic acid?
2-(dimethylamino)ethanol;2-methylprop-2-enoic acid has a molecular weight of 175.23 g/mol, XLogP of 0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethanol;2-methylprop-2-enoic acid is sourced from PubChem (CID 21443782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).