2-ethyl-4-(morpholin-4-ylamino)but-2-enoic acid

C10H18N2O3 — CID 103261053

IUPAC2-ethyl-4-(morpholin-4-ylamino)but-2-enoic acid
SMILESCCC(=CCNN1CCOCC1)C(=O)O
InChIInChI=1S/C10H18N2O3/c1-2-9(10(13)14)3-4-11-12-5-7-15-8-6-12/h3,11H,2,4-8H2,1H3,(H,13,14)
InChIKeyHRAUBLWMVRISQQ-UHFFFAOYSA-N
MW214.26 g/mol
LogP0.24
Rot. Bonds5

About 2-ethyl-4-(morpholin-4-ylamino)but-2-enoic acid

2-ethyl-4-(morpholin-4-ylamino)but-2-enoic acid (PubChem CID 103261053) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 2-ethyl-4-(morpholin-4-ylamino)but-2-enoic acid.

Molecular Properties

Compound Name2-ethyl-4-(morpholin-4-ylamino)but-2-enoic acid
PubChem CID103261053
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name2-ethyl-4-(morpholin-4-ylamino)but-2-enoic acid
SMILESCCC(=CCNN1CCOCC1)C(=O)O
InChIInChI=1S/C10H18N2O3/c1-2-9(10(13)14)3-4-11-12-5-7-15-8-6-12/h3,11H,2,4-8H2,1H3,(H,13,14)
InChIKeyHRAUBLWMVRISQQ-UHFFFAOYSA-N
XLogP0.24
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-Methylpent-2-enoic acid;morpholine
CID 66887460
2-Ethyl-4-morpholin-4-ylbut-2-enoic acid
CID 77101966
(Z)-4-(2-ethoxyethylamino)-2-ethylbut-2-enoic acid
CID 103230114
2-Ethyl-4-(2-methoxyethylamino)but-2-enoic acid
CID 103230957
2-Ethyl-4-(2-morpholin-4-ylethylamino)but-2-enoic acid
CID 103235771
(Z)-4-(2-butoxyethylamino)-2-ethylbut-2-enoic acid
CID 103242722
2-Ethyl-4-[(4-methylmorpholin-2-yl)methylamino]but-2-enoic acid
CID 103255453
2-Methyl-4-(morpholin-4-ylamino)but-2-enoic acid
CID 103261027
3-Methyl-4-(morpholin-4-ylamino)but-2-enoic acid
CID 103261044
Methyl 2-ethyl-4-(morpholin-4-ylamino)but-2-enoate
CID 103261045
2-Ethyl-4-(piperidin-1-ylamino)but-2-enoic acid
CID 103261186
2-Ethyl-4-[(4-methylpiperazin-1-yl)amino]but-2-enoic acid
CID 103261238

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(morpholin-4-ylamino)but-2-enoic acid?
The IUPAC name of 2-ethyl-4-(morpholin-4-ylamino)but-2-enoic acid (CID 103261053) is 2-ethyl-4-(morpholin-4-ylamino)but-2-enoic acid.
What is the SMILES notation for 2-ethyl-4-(morpholin-4-ylamino)but-2-enoic acid?
The canonical SMILES for 2-ethyl-4-(morpholin-4-ylamino)but-2-enoic acid is CCC(=CCNN1CCOCC1)C(=O)O.
What is the InChIKey of 2-ethyl-4-(morpholin-4-ylamino)but-2-enoic acid?
The InChIKey is HRAUBLWMVRISQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-2-9(10(13)14)3-4-11-12-5-7-15-8-6-12/h3,11H,2,4-8H2,1H3,(H,13,14).
What are the key properties of 2-ethyl-4-(morpholin-4-ylamino)but-2-enoic acid?
2-ethyl-4-(morpholin-4-ylamino)but-2-enoic acid has a molecular weight of 214.26 g/mol, XLogP of 0.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(morpholin-4-ylamino)but-2-enoic acid is sourced from PubChem (CID 103261053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).