(Z)-2-ethyl-4-[(4-ethylmorpholin-2-yl)methylamino]but-2-enoic acid

C13H24N2O3 — CID 103267265

IUPAC(Z)-2-ethyl-4-[(4-ethylmorpholin-2-yl)methylamino]but-2-enoic acid
SMILESCC/C(=C/CNCC1CN(CC)CCO1)C(=O)O
InChIInChI=1S/C13H24N2O3/c1-3-11(13(16)17)5-6-14-9-12-10-15(4-2)7-8-18-12/h5,12,14H,3-4,6-10H2,1-2H3,(H,16,17)/b11-5-
InChIKeyJIDUHGSFOJSKDO-WZUFQYTHSA-N
MW256.35 g/mol
LogP0.72
Rot. Bonds7

About (Z)-2-ethyl-4-[(4-ethylmorpholin-2-yl)methylamino]but-2-enoic acid

(Z)-2-ethyl-4-[(4-ethylmorpholin-2-yl)methylamino]but-2-enoic acid (PubChem CID 103267265) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is (Z)-2-ethyl-4-[(4-ethylmorpholin-2-yl)methylamino]but-2-enoic acid.

Molecular Properties

Compound Name(Z)-2-ethyl-4-[(4-ethylmorpholin-2-yl)methylamino]but-2-enoic acid
PubChem CID103267265
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name(Z)-2-ethyl-4-[(4-ethylmorpholin-2-yl)methylamino]but-2-enoic acid
SMILESCC/C(=C/CNCC1CN(CC)CCO1)C(=O)O
InChIInChI=1S/C13H24N2O3/c1-3-11(13(16)17)5-6-14-9-12-10-15(4-2)7-8-18-12/h5,12,14H,3-4,6-10H2,1-2H3,(H,16,17)/b11-5-
InChIKeyJIDUHGSFOJSKDO-WZUFQYTHSA-N
XLogP0.72
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.72
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 (Z)-2-ethyl-4-[(4-ethylmorpholin-2-yl)methylamino]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

Related Compounds

2-[(4-ethylmorpholin-2-yl)methylamino]-N-propylacetamide
CID 78960685
2-[(4-ethylmorpholin-2-yl)methylamino]ethyl carbamate
CID 83210717
2-[(4-ethylmorpholin-2-yl)methylamino]-N,N-dimethylacetamide
CID 78960517
3-[(4-ethylmorpholin-2-yl)methylamino]-N-propylpropanamide
CID 79165758
N-cyclopropyl-4-[(4-ethylmorpholin-2-yl)methylamino]butanamide
CID 79393887
4-[[(4-ethylmorpholin-2-yl)methylamino]methyl]benzoic acid
CID 114399651
3-bromo-N-[(4-ethylmorpholin-2-yl)methyl]propan-1-amine
CID 114293488
tert-butyl 2-[(4-ethylmorpholin-2-yl)methylamino]acetate
CID 113235636
N-[(4-ethylmorpholin-2-yl)methyl]-1-(4-methylcyclohexyl)methanamine
CID 79165979
3-[(4-ethylmorpholin-2-yl)methylamino]butanoic acid
CID 114399804
N-[4-[[(4-ethylmorpholin-2-yl)methylamino]methyl]phenyl]acetamide
CID 115616524
tert-butyl N-[3-[(4-ethylmorpholin-2-yl)methylamino]propyl]carbamate
CID 114399643

Frequently Asked Questions

What is the IUPAC name of (Z)-2-ethyl-4-[(4-ethylmorpholin-2-yl)methylamino]but-2-enoic acid?
The IUPAC name of (Z)-2-ethyl-4-[(4-ethylmorpholin-2-yl)methylamino]but-2-enoic acid (CID 103267265) is (Z)-2-ethyl-4-[(4-ethylmorpholin-2-yl)methylamino]but-2-enoic acid.
What is the SMILES notation for (Z)-2-ethyl-4-[(4-ethylmorpholin-2-yl)methylamino]but-2-enoic acid?
The canonical SMILES for (Z)-2-ethyl-4-[(4-ethylmorpholin-2-yl)methylamino]but-2-enoic acid is CC/C(=C/CNCC1CN(CC)CCO1)C(=O)O.
What is the InChIKey of (Z)-2-ethyl-4-[(4-ethylmorpholin-2-yl)methylamino]but-2-enoic acid?
The InChIKey is JIDUHGSFOJSKDO-WZUFQYTHSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-3-11(13(16)17)5-6-14-9-12-10-15(4-2)7-8-18-12/h5,12,14H,3-4,6-10H2,1-2H3,(H,16,17)/b11-5-.
What are the key properties of (Z)-2-ethyl-4-[(4-ethylmorpholin-2-yl)methylamino]but-2-enoic acid?
(Z)-2-ethyl-4-[(4-ethylmorpholin-2-yl)methylamino]but-2-enoic acid has a molecular weight of 256.35 g/mol, XLogP of 0.72, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-ethyl-4-[(4-ethylmorpholin-2-yl)methylamino]but-2-enoic acid is sourced from PubChem (CID 103267265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).