methyl 2-methyl-4-(morpholin-4-ylamino)but-2-enoate

C10H18N2O3 — CID 103261073

IUPACmethyl 2-methyl-4-(morpholin-4-ylamino)but-2-enoate
SMILESCOC(=O)C(C)=CCNN1CCOCC1
InChIInChI=1S/C10H18N2O3/c1-9(10(13)14-2)3-4-11-12-5-7-15-8-6-12/h3,11H,4-8H2,1-2H3
InChIKeyJYKUQJWURXSNNI-UHFFFAOYSA-N
MW214.26 g/mol
LogP-0.06
Rot. Bonds4

About methyl 2-methyl-4-(morpholin-4-ylamino)but-2-enoate

methyl 2-methyl-4-(morpholin-4-ylamino)but-2-enoate (PubChem CID 103261073) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is methyl 2-methyl-4-(morpholin-4-ylamino)but-2-enoate.

Molecular Properties

Compound Namemethyl 2-methyl-4-(morpholin-4-ylamino)but-2-enoate
PubChem CID103261073
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Namemethyl 2-methyl-4-(morpholin-4-ylamino)but-2-enoate
SMILESCOC(=O)C(C)=CCNN1CCOCC1
InChIInChI=1S/C10H18N2O3/c1-9(10(13)14-2)3-4-11-12-5-7-15-8-6-12/h3,11H,4-8H2,1-2H3
InChIKeyJYKUQJWURXSNNI-UHFFFAOYSA-N
XLogP-0.06
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-4-(morpholin-4-ylamino)but-2-enoate?
The IUPAC name of methyl 2-methyl-4-(morpholin-4-ylamino)but-2-enoate (CID 103261073) is methyl 2-methyl-4-(morpholin-4-ylamino)but-2-enoate.
What is the SMILES notation for methyl 2-methyl-4-(morpholin-4-ylamino)but-2-enoate?
The canonical SMILES for methyl 2-methyl-4-(morpholin-4-ylamino)but-2-enoate is COC(=O)C(C)=CCNN1CCOCC1.
What is the InChIKey of methyl 2-methyl-4-(morpholin-4-ylamino)but-2-enoate?
The InChIKey is JYKUQJWURXSNNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-9(10(13)14-2)3-4-11-12-5-7-15-8-6-12/h3,11H,4-8H2,1-2H3.
What are the key properties of methyl 2-methyl-4-(morpholin-4-ylamino)but-2-enoate?
methyl 2-methyl-4-(morpholin-4-ylamino)but-2-enoate has a molecular weight of 214.26 g/mol, XLogP of -0.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-4-(morpholin-4-ylamino)but-2-enoate is sourced from PubChem (CID 103261073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).