(E)-5-morpholin-4-yl-3-(trifluoromethyl)pent-2-enoic acid

C10H14F3NO3 — CID 82534912

IUPAC(E)-5-morpholin-4-yl-3-(trifluoromethyl)pent-2-enoic acid
SMILESO=C(O)/C=C(\CCN1CCOCC1)C(F)(F)F
InChIInChI=1S/C10H14F3NO3/c11-10(12,13)8(7-9(15)16)1-2-14-3-5-17-6-4-14/h7H,1-6H2,(H,15,16)/b8-7+
InChIKeyATGCEELJWRFZSS-BQYQJAHWSA-N
MW253.22 g/mol
LogP1.28
Rot. Bonds4

About (E)-5-morpholin-4-yl-3-(trifluoromethyl)pent-2-enoic acid

(E)-5-morpholin-4-yl-3-(trifluoromethyl)pent-2-enoic acid (PubChem CID 82534912) has the molecular formula C10H14F3NO3 and a molecular weight of 253.22 g/mol. Its IUPAC name is (E)-5-morpholin-4-yl-3-(trifluoromethyl)pent-2-enoic acid.

Molecular Properties

Compound Name(E)-5-morpholin-4-yl-3-(trifluoromethyl)pent-2-enoic acid
PubChem CID82534912
Molecular FormulaC10H14F3NO3
Molecular Weight253.22 g/mol
Exact Mass253.09
IUPAC Name(E)-5-morpholin-4-yl-3-(trifluoromethyl)pent-2-enoic acid
SMILESO=C(O)/C=C(\CCN1CCOCC1)C(F)(F)F
InChIInChI=1S/C10H14F3NO3/c11-10(12,13)8(7-9(15)16)1-2-14-3-5-17-6-4-14/h7H,1-6H2,(H,15,16)/b8-7+
InChIKeyATGCEELJWRFZSS-BQYQJAHWSA-N
XLogP1.28
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.22
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-5-morpholin-4-yl-3-(trifluoromethyl)pent-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)-5-morpholin-4-yl-3-(trifluoromethyl)pent-2-enoic acid?
The IUPAC name of (E)-5-morpholin-4-yl-3-(trifluoromethyl)pent-2-enoic acid (CID 82534912) is (E)-5-morpholin-4-yl-3-(trifluoromethyl)pent-2-enoic acid.
What is the SMILES notation for (E)-5-morpholin-4-yl-3-(trifluoromethyl)pent-2-enoic acid?
The canonical SMILES for (E)-5-morpholin-4-yl-3-(trifluoromethyl)pent-2-enoic acid is O=C(O)/C=C(\CCN1CCOCC1)C(F)(F)F.
What is the InChIKey of (E)-5-morpholin-4-yl-3-(trifluoromethyl)pent-2-enoic acid?
The InChIKey is ATGCEELJWRFZSS-BQYQJAHWSA-N. The full InChI is InChI=1S/C10H14F3NO3/c11-10(12,13)8(7-9(15)16)1-2-14-3-5-17-6-4-14/h7H,1-6H2,(H,15,16)/b8-7+.
What are the key properties of (E)-5-morpholin-4-yl-3-(trifluoromethyl)pent-2-enoic acid?
(E)-5-morpholin-4-yl-3-(trifluoromethyl)pent-2-enoic acid has a molecular weight of 253.22 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-morpholin-4-yl-3-(trifluoromethyl)pent-2-enoic acid is sourced from PubChem (CID 82534912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).