(E)-4-(2-morpholin-4-ylethylamino)but-2-enoic acid

C10H18N2O3 — CID 103235764

IUPAC(E)-4-(2-morpholin-4-ylethylamino)but-2-enoic acid
SMILESO=C(O)/C=C/CNCCN1CCOCC1
InChIInChI=1S/C10H18N2O3/c13-10(14)2-1-3-11-4-5-12-6-8-15-9-7-12/h1-2,11H,3-9H2,(H,13,14)/b2-1+
InChIKeyBGTNRWDWVPGMCF-OWOJBTEDSA-N
MW214.26 g/mol
LogP-0.45
Rot. Bonds6

About (E)-4-(2-morpholin-4-ylethylamino)but-2-enoic acid

(E)-4-(2-morpholin-4-ylethylamino)but-2-enoic acid (PubChem CID 103235764) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is (E)-4-(2-morpholin-4-ylethylamino)but-2-enoic acid.

Molecular Properties

Compound Name(E)-4-(2-morpholin-4-ylethylamino)but-2-enoic acid
PubChem CID103235764
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name(E)-4-(2-morpholin-4-ylethylamino)but-2-enoic acid
SMILESO=C(O)/C=C/CNCCN1CCOCC1
InChIInChI=1S/C10H18N2O3/c13-10(14)2-1-3-11-4-5-12-6-8-15-9-7-12/h1-2,11H,3-9H2,(H,13,14)/b2-1+
InChIKeyBGTNRWDWVPGMCF-OWOJBTEDSA-N
XLogP-0.45
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-4-(2-morpholin-4-ylethylamino)but-2-enoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-4-(2-morpholin-4-ylethylamino)but-2-enoic acid?
The IUPAC name of (E)-4-(2-morpholin-4-ylethylamino)but-2-enoic acid (CID 103235764) is (E)-4-(2-morpholin-4-ylethylamino)but-2-enoic acid.
What is the SMILES notation for (E)-4-(2-morpholin-4-ylethylamino)but-2-enoic acid?
The canonical SMILES for (E)-4-(2-morpholin-4-ylethylamino)but-2-enoic acid is O=C(O)/C=C/CNCCN1CCOCC1.
What is the InChIKey of (E)-4-(2-morpholin-4-ylethylamino)but-2-enoic acid?
The InChIKey is BGTNRWDWVPGMCF-OWOJBTEDSA-N. The full InChI is InChI=1S/C10H18N2O3/c13-10(14)2-1-3-11-4-5-12-6-8-15-9-7-12/h1-2,11H,3-9H2,(H,13,14)/b2-1+.
What are the key properties of (E)-4-(2-morpholin-4-ylethylamino)but-2-enoic acid?
(E)-4-(2-morpholin-4-ylethylamino)but-2-enoic acid has a molecular weight of 214.26 g/mol, XLogP of -0.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(2-morpholin-4-ylethylamino)but-2-enoic acid is sourced from PubChem (CID 103235764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).