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

C8H14N2O3 — CID 103261042

IUPAC(E)-4-(morpholin-4-ylamino)but-2-enoic acid
SMILESO=C(O)/C=C/CNN1CCOCC1
InChIInChI=1S/C8H14N2O3/c11-8(12)2-1-3-9-10-4-6-13-7-5-10/h1-2,9H,3-7H2,(H,11,12)/b2-1+
InChIKeyVYEVKMJZCSRZRI-OWOJBTEDSA-N
MW186.21 g/mol
LogP-0.54
Rot. Bonds4

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

(E)-4-(morpholin-4-ylamino)but-2-enoic acid (PubChem CID 103261042) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is (E)-4-(morpholin-4-ylamino)but-2-enoic acid.

Molecular Properties

Compound Name(E)-4-(morpholin-4-ylamino)but-2-enoic acid
PubChem CID103261042
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Name(E)-4-(morpholin-4-ylamino)but-2-enoic acid
SMILESO=C(O)/C=C/CNN1CCOCC1
InChIInChI=1S/C8H14N2O3/c11-8(12)2-1-3-9-10-4-6-13-7-5-10/h1-2,9H,3-7H2,(H,11,12)/b2-1+
InChIKeyVYEVKMJZCSRZRI-OWOJBTEDSA-N
XLogP-0.54
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 5-0.54
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

(2E)-3-(N-morpholin-4-ylcarbamoyl)prop-2-enoic acid
CID 17385488
4-(Morpholin-4-ylamino)-4-oxobut-2-enoic acid
CID 54372425
(Z)-4-(morpholin-4-ylamino)-4-oxobut-2-enoic acid
CID 59968378
(Z)-3-(morpholin-4-ylamino)but-2-enoic acid
CID 70393169
Hydrazine;4-(morpholin-4-ylamino)-4-oxobut-2-enoic acid
CID 162153090
ethyl (E)-4-(morpholin-4-ylamino)but-2-enoate
CID 83021172
(E)-4-(2-morpholin-4-ylethylamino)but-2-enoic acid
CID 103235764
(E)-4-(3-morpholin-4-ylpropylamino)but-2-enoic acid
CID 103237314
2-Methyl-4-(morpholin-4-ylamino)but-2-enoic acid
CID 103261027
3-Methyl-4-(morpholin-4-ylamino)but-2-enoic acid
CID 103261044

Frequently Asked Questions

What is the IUPAC name of (E)-4-(morpholin-4-ylamino)but-2-enoic acid?
The IUPAC name of (E)-4-(morpholin-4-ylamino)but-2-enoic acid (CID 103261042) is (E)-4-(morpholin-4-ylamino)but-2-enoic acid.
What is the SMILES notation for (E)-4-(morpholin-4-ylamino)but-2-enoic acid?
The canonical SMILES for (E)-4-(morpholin-4-ylamino)but-2-enoic acid is O=C(O)/C=C/CNN1CCOCC1.
What is the InChIKey of (E)-4-(morpholin-4-ylamino)but-2-enoic acid?
The InChIKey is VYEVKMJZCSRZRI-OWOJBTEDSA-N. The full InChI is InChI=1S/C8H14N2O3/c11-8(12)2-1-3-9-10-4-6-13-7-5-10/h1-2,9H,3-7H2,(H,11,12)/b2-1+.
What are the key properties of (E)-4-(morpholin-4-ylamino)but-2-enoic acid?
(E)-4-(morpholin-4-ylamino)but-2-enoic acid has a molecular weight of 186.21 g/mol, XLogP of -0.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(morpholin-4-ylamino)but-2-enoic acid is sourced from PubChem (CID 103261042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).