2-morpholin-4-ylethyl 3-iminobutanoate

C10H18N2O3 — CID 54312369

IUPAC2-morpholin-4-ylethyl 3-iminobutanoate
SMILES[H]/N=C(\C)CC(=O)OCCN1CCOCC1
InChIInChI=1S/C10H18N2O3/c1-9(11)8-10(13)15-7-4-12-2-5-14-6-3-12/h11H,2-8H2,1H3/b11-9+
InChIKeySLUGZROUUVVTPP-PKNBQFBNSA-N
MW214.26 g/mol
LogP0.29
Rot. Bonds5

About 2-morpholin-4-ylethyl 3-iminobutanoate

2-morpholin-4-ylethyl 3-iminobutanoate (PubChem CID 54312369) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 2-morpholin-4-ylethyl 3-iminobutanoate.

Molecular Properties

Compound Name2-morpholin-4-ylethyl 3-iminobutanoate
PubChem CID54312369
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name2-morpholin-4-ylethyl 3-iminobutanoate
SMILES[H]/N=C(\C)CC(=O)OCCN1CCOCC1
InChIInChI=1S/C10H18N2O3/c1-9(11)8-10(13)15-7-4-12-2-5-14-6-3-12/h11H,2-8H2,1H3/b11-9+
InChIKeySLUGZROUUVVTPP-PKNBQFBNSA-N
XLogP0.29
TPSA62.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-Methylisoxazol-5(4H)-one morpholine salt
CID 6455572
Ethyl 4,4-difluoro-3-morpholin-4-ium-4-ylidenebutanoate
CID 175561739
Ethyl 3-morpholin-4-yliminobutanoate
CID 53659777
2-(Diethylamino)ethyl 3-iminobutanoate
CID 53672453
Ethyl 3-(2-morpholin-4-ylethylimino)butanoate
CID 53917045
Methyl 3-morpholin-4-yliminobutanoate
CID 53934099
2-Piperidin-1-ylethyl 3-iminobutanoate
CID 53959884
2-(Dimethylamino)ethyl 3-iminobutanoate
CID 54111919
2-Piperazin-1-ylethyl 3-iminobutanoate
CID 54131239
(4-Ethoxy-2-imino-4-oxobutyl) morpholine-4-carboxylate
CID 54340158
Methyl 3-(2-morpholin-4-ylethylimino)butanoate
CID 57318901
ethyl (3E)-3-morpholin-4-yliminobutanoate
CID 88845773

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-ylethyl 3-iminobutanoate?
The IUPAC name of 2-morpholin-4-ylethyl 3-iminobutanoate (CID 54312369) is 2-morpholin-4-ylethyl 3-iminobutanoate.
What is the SMILES notation for 2-morpholin-4-ylethyl 3-iminobutanoate?
The canonical SMILES for 2-morpholin-4-ylethyl 3-iminobutanoate is [H]/N=C(\C)CC(=O)OCCN1CCOCC1.
What is the InChIKey of 2-morpholin-4-ylethyl 3-iminobutanoate?
The InChIKey is SLUGZROUUVVTPP-PKNBQFBNSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-9(11)8-10(13)15-7-4-12-2-5-14-6-3-12/h11H,2-8H2,1H3/b11-9+.
What are the key properties of 2-morpholin-4-ylethyl 3-iminobutanoate?
2-morpholin-4-ylethyl 3-iminobutanoate has a molecular weight of 214.26 g/mol, XLogP of 0.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-ylethyl 3-iminobutanoate is sourced from PubChem (CID 54312369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).