2-[2-(dimethylamino)ethyl-prop-2-enylamino]acetic acid

C9H18N2O2 — CID 79275929

IUPAC2-[2-(dimethylamino)ethyl-prop-2-enylamino]acetic acid
SMILESC=CCN(CCN(C)C)CC(=O)O
InChIInChI=1S/C9H18N2O2/c1-4-5-11(8-9(12)13)7-6-10(2)3/h4H,1,5-8H2,2-3H3,(H,12,13)
InChIKeyJYOLHXKZLXPLGE-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.12
Rot. Bonds7

About 2-[2-(dimethylamino)ethyl-prop-2-enylamino]acetic acid

2-[2-(dimethylamino)ethyl-prop-2-enylamino]acetic acid (PubChem CID 79275929) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl-prop-2-enylamino]acetic acid.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl-prop-2-enylamino]acetic acid
PubChem CID79275929
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name2-[2-(dimethylamino)ethyl-prop-2-enylamino]acetic acid
SMILESC=CCN(CCN(C)C)CC(=O)O
InChIInChI=1S/C9H18N2O2/c1-4-5-11(8-9(12)13)7-6-10(2)3/h4H,1,5-8H2,2-3H3,(H,12,13)
InChIKeyJYOLHXKZLXPLGE-UHFFFAOYSA-N
XLogP0.12
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2-[2-(dimethylamino)ethyl-prop-2-enylamino]acetic acid?
The IUPAC name of 2-[2-(dimethylamino)ethyl-prop-2-enylamino]acetic acid (CID 79275929) is 2-[2-(dimethylamino)ethyl-prop-2-enylamino]acetic acid.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl-prop-2-enylamino]acetic acid?
The canonical SMILES for 2-[2-(dimethylamino)ethyl-prop-2-enylamino]acetic acid is C=CCN(CCN(C)C)CC(=O)O.
What is the InChIKey of 2-[2-(dimethylamino)ethyl-prop-2-enylamino]acetic acid?
The InChIKey is JYOLHXKZLXPLGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-4-5-11(8-9(12)13)7-6-10(2)3/h4H,1,5-8H2,2-3H3,(H,12,13).
What are the key properties of 2-[2-(dimethylamino)ethyl-prop-2-enylamino]acetic acid?
2-[2-(dimethylamino)ethyl-prop-2-enylamino]acetic acid has a molecular weight of 186.25 g/mol, XLogP of 0.12, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl-prop-2-enylamino]acetic acid is sourced from PubChem (CID 79275929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).