(E)-4-(diethylamino)-2-methylpent-2-enoic acid

C10H19NO2 — CID 19369023

IUPAC(E)-4-(diethylamino)-2-methylpent-2-enoic acid
SMILESCCN(CC)C(C)/C=C(\C)C(=O)O
InChIInChI=1S/C10H19NO2/c1-5-11(6-2)9(4)7-8(3)10(12)13/h7,9H,5-6H2,1-4H3,(H,12,13)/b8-7+
InChIKeyQESHRJHVFTZYJH-BQYQJAHWSA-N
MW185.27 g/mol
LogP1.75
Rot. Bonds5

About (E)-4-(diethylamino)-2-methylpent-2-enoic acid

(E)-4-(diethylamino)-2-methylpent-2-enoic acid (PubChem CID 19369023) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is (E)-4-(diethylamino)-2-methylpent-2-enoic acid.

Molecular Properties

Compound Name(E)-4-(diethylamino)-2-methylpent-2-enoic acid
PubChem CID19369023
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name(E)-4-(diethylamino)-2-methylpent-2-enoic acid
SMILESCCN(CC)C(C)/C=C(\C)C(=O)O
InChIInChI=1S/C10H19NO2/c1-5-11(6-2)9(4)7-8(3)10(12)13/h7,9H,5-6H2,1-4H3,(H,12,13)/b8-7+
InChIKeyQESHRJHVFTZYJH-BQYQJAHWSA-N
XLogP1.75
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-4-(diethylamino)-2-methylpent-2-enoic acid?
The IUPAC name of (E)-4-(diethylamino)-2-methylpent-2-enoic acid (CID 19369023) is (E)-4-(diethylamino)-2-methylpent-2-enoic acid.
What is the SMILES notation for (E)-4-(diethylamino)-2-methylpent-2-enoic acid?
The canonical SMILES for (E)-4-(diethylamino)-2-methylpent-2-enoic acid is CCN(CC)C(C)/C=C(\C)C(=O)O.
What is the InChIKey of (E)-4-(diethylamino)-2-methylpent-2-enoic acid?
The InChIKey is QESHRJHVFTZYJH-BQYQJAHWSA-N. The full InChI is InChI=1S/C10H19NO2/c1-5-11(6-2)9(4)7-8(3)10(12)13/h7,9H,5-6H2,1-4H3,(H,12,13)/b8-7+.
What are the key properties of (E)-4-(diethylamino)-2-methylpent-2-enoic acid?
(E)-4-(diethylamino)-2-methylpent-2-enoic acid has a molecular weight of 185.27 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(diethylamino)-2-methylpent-2-enoic acid is sourced from PubChem (CID 19369023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).