(E)-5-(ethylamino)-2-methylpent-2-enoic acid

C8H15NO2 — CID 23065070

IUPAC(E)-5-(ethylamino)-2-methylpent-2-enoic acid
SMILESCCNCC/C=C(\C)C(=O)O
InChIInChI=1S/C8H15NO2/c1-3-9-6-4-5-7(2)8(10)11/h5,9H,3-4,6H2,1-2H3,(H,10,11)/b7-5+
InChIKeyBSEFLQZYGGIEII-FNORWQNLSA-N
MW157.21 g/mol
LogP1.02
Rot. Bonds5

About (E)-5-(ethylamino)-2-methylpent-2-enoic acid

(E)-5-(ethylamino)-2-methylpent-2-enoic acid (PubChem CID 23065070) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is (E)-5-(ethylamino)-2-methylpent-2-enoic acid.

Molecular Properties

Compound Name(E)-5-(ethylamino)-2-methylpent-2-enoic acid
PubChem CID23065070
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name(E)-5-(ethylamino)-2-methylpent-2-enoic acid
SMILESCCNCC/C=C(\C)C(=O)O
InChIInChI=1S/C8H15NO2/c1-3-9-6-4-5-7(2)8(10)11/h5,9H,3-4,6H2,1-2H3,(H,10,11)/b7-5+
InChIKeyBSEFLQZYGGIEII-FNORWQNLSA-N
XLogP1.02
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of (E)-5-(ethylamino)-2-methylpent-2-enoic acid?
The IUPAC name of (E)-5-(ethylamino)-2-methylpent-2-enoic acid (CID 23065070) is (E)-5-(ethylamino)-2-methylpent-2-enoic acid.
What is the SMILES notation for (E)-5-(ethylamino)-2-methylpent-2-enoic acid?
The canonical SMILES for (E)-5-(ethylamino)-2-methylpent-2-enoic acid is CCNCC/C=C(\C)C(=O)O.
What is the InChIKey of (E)-5-(ethylamino)-2-methylpent-2-enoic acid?
The InChIKey is BSEFLQZYGGIEII-FNORWQNLSA-N. The full InChI is InChI=1S/C8H15NO2/c1-3-9-6-4-5-7(2)8(10)11/h5,9H,3-4,6H2,1-2H3,(H,10,11)/b7-5+.
What are the key properties of (E)-5-(ethylamino)-2-methylpent-2-enoic acid?
(E)-5-(ethylamino)-2-methylpent-2-enoic acid has a molecular weight of 157.21 g/mol, XLogP of 1.02, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-(ethylamino)-2-methylpent-2-enoic acid is sourced from PubChem (CID 23065070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).