5-(diethylamino)-2-methylpent-2-enoic acid

C10H19NO2 — CID 54133229

IUPAC5-(diethylamino)-2-methylpent-2-enoic acid
SMILESCCN(CC)CCC=C(C)C(=O)O
InChIInChI=1S/C10H19NO2/c1-4-11(5-2)8-6-7-9(3)10(12)13/h7H,4-6,8H2,1-3H3,(H,12,13)
InChIKeyNVVDPSZOAIMZLZ-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.75
Rot. Bonds6

About 5-(diethylamino)-2-methylpent-2-enoic acid

5-(diethylamino)-2-methylpent-2-enoic acid (PubChem CID 54133229) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 5-(diethylamino)-2-methylpent-2-enoic acid.

Molecular Properties

Compound Name5-(diethylamino)-2-methylpent-2-enoic acid
PubChem CID54133229
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name5-(diethylamino)-2-methylpent-2-enoic acid
SMILESCCN(CC)CCC=C(C)C(=O)O
InChIInChI=1S/C10H19NO2/c1-4-11(5-2)8-6-7-9(3)10(12)13/h7H,4-6,8H2,1-3H3,(H,12,13)
InChIKeyNVVDPSZOAIMZLZ-UHFFFAOYSA-N
XLogP1.75
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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 5-(diethylamino)-2-methylpent-2-enoic acid?
The IUPAC name of 5-(diethylamino)-2-methylpent-2-enoic acid (CID 54133229) is 5-(diethylamino)-2-methylpent-2-enoic acid.
What is the SMILES notation for 5-(diethylamino)-2-methylpent-2-enoic acid?
The canonical SMILES for 5-(diethylamino)-2-methylpent-2-enoic acid is CCN(CC)CCC=C(C)C(=O)O.
What is the InChIKey of 5-(diethylamino)-2-methylpent-2-enoic acid?
The InChIKey is NVVDPSZOAIMZLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-4-11(5-2)8-6-7-9(3)10(12)13/h7H,4-6,8H2,1-3H3,(H,12,13).
What are the key properties of 5-(diethylamino)-2-methylpent-2-enoic acid?
5-(diethylamino)-2-methylpent-2-enoic acid has a molecular weight of 185.27 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylamino)-2-methylpent-2-enoic acid is sourced from PubChem (CID 54133229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).