(Z)-4-(2-ethoxyethylamino)-2-ethylbut-2-enoic acid

C10H19NO3 — CID 103230114

IUPAC(Z)-4-(2-ethoxyethylamino)-2-ethylbut-2-enoic acid
SMILESCCOCCNC/C=C(/CC)C(=O)O
InChIInChI=1S/C10H19NO3/c1-3-9(10(12)13)5-6-11-7-8-14-4-2/h5,11H,3-4,6-8H2,1-2H3,(H,12,13)/b9-5-
InChIKeyGVSKVVMTZQEORQ-UITAMQMPSA-N
MW201.27 g/mol
LogP1.03
Rot. Bonds8

About (Z)-4-(2-ethoxyethylamino)-2-ethylbut-2-enoic acid

(Z)-4-(2-ethoxyethylamino)-2-ethylbut-2-enoic acid (PubChem CID 103230114) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is (Z)-4-(2-ethoxyethylamino)-2-ethylbut-2-enoic acid.

Molecular Properties

Compound Name(Z)-4-(2-ethoxyethylamino)-2-ethylbut-2-enoic acid
PubChem CID103230114
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name(Z)-4-(2-ethoxyethylamino)-2-ethylbut-2-enoic acid
SMILESCCOCCNC/C=C(/CC)C(=O)O
InChIInChI=1S/C10H19NO3/c1-3-9(10(12)13)5-6-11-7-8-14-4-2/h5,11H,3-4,6-8H2,1-2H3,(H,12,13)/b9-5-
InChIKeyGVSKVVMTZQEORQ-UITAMQMPSA-N
XLogP1.03
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.03
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of (Z)-4-(2-ethoxyethylamino)-2-ethylbut-2-enoic acid?
The IUPAC name of (Z)-4-(2-ethoxyethylamino)-2-ethylbut-2-enoic acid (CID 103230114) is (Z)-4-(2-ethoxyethylamino)-2-ethylbut-2-enoic acid.
What is the SMILES notation for (Z)-4-(2-ethoxyethylamino)-2-ethylbut-2-enoic acid?
The canonical SMILES for (Z)-4-(2-ethoxyethylamino)-2-ethylbut-2-enoic acid is CCOCCNC/C=C(/CC)C(=O)O.
What is the InChIKey of (Z)-4-(2-ethoxyethylamino)-2-ethylbut-2-enoic acid?
The InChIKey is GVSKVVMTZQEORQ-UITAMQMPSA-N. The full InChI is InChI=1S/C10H19NO3/c1-3-9(10(12)13)5-6-11-7-8-14-4-2/h5,11H,3-4,6-8H2,1-2H3,(H,12,13)/b9-5-.
What are the key properties of (Z)-4-(2-ethoxyethylamino)-2-ethylbut-2-enoic acid?
(Z)-4-(2-ethoxyethylamino)-2-ethylbut-2-enoic acid has a molecular weight of 201.27 g/mol, XLogP of 1.03, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(2-ethoxyethylamino)-2-ethylbut-2-enoic acid is sourced from PubChem (CID 103230114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).