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

C10H19NO3 — CID 87517833

IUPAC(E)-5-[2-(dimethylamino)ethoxy]-2-methylpent-2-enoic acid
SMILESC/C(=C\CCOCCN(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)/b9-5+
InChIKeyKRQQONHGCNLLJU-WEVVVXLNSA-N
MW201.27 g/mol
LogP0.99
Rot. Bonds7

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

(E)-5-[2-(dimethylamino)ethoxy]-2-methylpent-2-enoic acid (PubChem CID 87517833) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is (E)-5-[2-(dimethylamino)ethoxy]-2-methylpent-2-enoic acid.

Molecular Properties

Compound Name(E)-5-[2-(dimethylamino)ethoxy]-2-methylpent-2-enoic acid
PubChem CID87517833
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name(E)-5-[2-(dimethylamino)ethoxy]-2-methylpent-2-enoic acid
SMILESC/C(=C\CCOCCN(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)/b9-5+
InChIKeyKRQQONHGCNLLJU-WEVVVXLNSA-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-[(E)-2-ethylbut-2-enoyl]oxyethyl-trimethylazanium
CID 5463603
(E)-2-methyl-5-morpholin-4-ylpent-2-enoic acid
CID 19428816
(E)-2-methyl-4-morpholin-4-ylpent-2-enoic acid
CID 19881474
5-[2-(Dimethylamino)ethoxycarbonyl]-2-methylhexa-2,5-dienoic acid
CID 54215844
5-[2-(Dimethylamino)ethoxycarbonyl]hexa-2,5-dienoic acid
CID 54392979
5-[Bis(2-methoxyethyl)amino]-2-methylpent-2-enoic acid
CID 57073490
6-(Dimethylamino)-5-hydroxy-2-methylhex-2-enoic acid
CID 57111694
2-Methyl-5-morpholin-4-ylpent-2-enoic acid
CID 57216518
Ethyl-dimethyl-[2-(2-methylpent-2-enoyloxy)ethyl]azanium
CID 57233197
4-[3-[2-(Dimethylamino)ethoxy]propylidene]-2-methylpent-2-enedioic acid
CID 57287200
5-[2-Hydroxyethyl(methyl)amino]-2-methylpent-2-enoic acid
CID 57297899
(5-Carboxy-2-hydroxyhex-4-enyl)-trimethylazanium
CID 57323096

Frequently Asked Questions

What is the IUPAC name of (E)-5-[2-(dimethylamino)ethoxy]-2-methylpent-2-enoic acid?
The IUPAC name of (E)-5-[2-(dimethylamino)ethoxy]-2-methylpent-2-enoic acid (CID 87517833) is (E)-5-[2-(dimethylamino)ethoxy]-2-methylpent-2-enoic acid.
What is the SMILES notation for (E)-5-[2-(dimethylamino)ethoxy]-2-methylpent-2-enoic acid?
The canonical SMILES for (E)-5-[2-(dimethylamino)ethoxy]-2-methylpent-2-enoic acid is C/C(=C\CCOCCN(C)C)C(=O)O.
What is the InChIKey of (E)-5-[2-(dimethylamino)ethoxy]-2-methylpent-2-enoic acid?
The InChIKey is KRQQONHGCNLLJU-WEVVVXLNSA-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)/b9-5+.
What are the key properties of (E)-5-[2-(dimethylamino)ethoxy]-2-methylpent-2-enoic acid?
(E)-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 (E)-5-[2-(dimethylamino)ethoxy]-2-methylpent-2-enoic acid is sourced from PubChem (CID 87517833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).