5-[2-(dimethylamino)ethoxy]-2-methylpent-2-enoic acid

C10H19NO3 — CID 173097530

IUPAC5-[2-(dimethylamino)ethoxy]-2-methylpent-2-enoic acid
SMILESCC(=CCCOCCN(C)C)C(=O)O
InChIInChI=1S/C10H19NO3/c1-9(10(12)13)5-4-7-14-8-6-11(2)3/h5H,4,6-8H2,1-3H3,(H,12,13)
InChIKeyKRQQONHGCNLLJU-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.99
Rot. Bonds7

About 5-[2-(dimethylamino)ethoxy]-2-methylpent-2-enoic acid

5-[2-(dimethylamino)ethoxy]-2-methylpent-2-enoic acid (PubChem CID 173097530) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 5-[2-(dimethylamino)ethoxy]-2-methylpent-2-enoic acid.

Molecular Properties

Compound Name5-[2-(dimethylamino)ethoxy]-2-methylpent-2-enoic acid
PubChem CID173097530
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name5-[2-(dimethylamino)ethoxy]-2-methylpent-2-enoic acid
SMILESCC(=CCCOCCN(C)C)C(=O)O
InChIInChI=1S/C10H19NO3/c1-9(10(12)13)5-4-7-14-8-6-11(2)3/h5H,4,6-8H2,1-3H3,(H,12,13)
InChIKeyKRQQONHGCNLLJU-UHFFFAOYSA-N
XLogP0.99
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-5-(2-propoxyethoxy)pent-2-enoic acid
CID 123853620
2-methyl-5-pentoxypent-2-enoic acid
CID 173186869
5-(dimethylamino)-2-methylpent-2-enoic acid;2-methylprop-2-enoic acid
CID 161495453
2-methyl-5-pent-4-enoxypent-2-enoic acid
CID 90804613
2-methyl-5-sulfanyloxypent-2-enoic acid
CID 57297654
5-[2-(1,3-dioxolan-2-yl)ethoxy]-2-methylpent-2-enoic acid
CID 67828627
6-(dimethylamino)-2-methylhex-2-enoic acid;3-(dimethylamino)propyl 2-methylprop-2-enoate
CID 158407090
6-(3-hydroxypropoxy)-2-methylhex-2-enoic acid
CID 91086450
4-[2-(dimethylamino)ethyl-methylamino]-2-methylbut-2-enoic acid
CID 77074049
(E)-6-ethoxy-2-methylhex-2-enoic acid
CID 87120210
2-methyl-7-propoxyhept-2-enoic acid
CID 123969455
bis(N,N-dimethylmethanamine);2-methylhex-2-enoic acid;hydrochloride
CID 173034398

Frequently Asked Questions

What is the IUPAC name of 5-[2-(dimethylamino)ethoxy]-2-methylpent-2-enoic acid?
The IUPAC name of 5-[2-(dimethylamino)ethoxy]-2-methylpent-2-enoic acid (CID 173097530) is 5-[2-(dimethylamino)ethoxy]-2-methylpent-2-enoic acid.
What is the SMILES notation for 5-[2-(dimethylamino)ethoxy]-2-methylpent-2-enoic acid?
The canonical SMILES for 5-[2-(dimethylamino)ethoxy]-2-methylpent-2-enoic acid is CC(=CCCOCCN(C)C)C(=O)O.
What is the InChIKey of 5-[2-(dimethylamino)ethoxy]-2-methylpent-2-enoic acid?
The InChIKey is KRQQONHGCNLLJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-9(10(12)13)5-4-7-14-8-6-11(2)3/h5H,4,6-8H2,1-3H3,(H,12,13).
What are the key properties of 5-[2-(dimethylamino)ethoxy]-2-methylpent-2-enoic acid?
5-[2-(dimethylamino)ethoxy]-2-methylpent-2-enoic acid has a molecular weight of 201.27 g/mol, XLogP of 0.99, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(dimethylamino)ethoxy]-2-methylpent-2-enoic acid is sourced from PubChem (CID 173097530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).