(Z)-4-amino-2-(methylamino)-1-[(3R)-3-(methylaminomethyl)morpholin-4-yl]but-2-en-1-one

C11H22N4O2 — CID 130179833

IUPAC(Z)-4-amino-2-(methylamino)-1-[(3R)-3-(methylaminomethyl)morpholin-4-yl]but-2-en-1-one
SMILESCNC[C@@H]1COCCN1C(=O)/C(=C/CN)NC
InChIInChI=1S/C11H22N4O2/c1-13-7-9-8-17-6-5-15(9)11(16)10(14-2)3-4-12/h3,9,13-14H,4-8,12H2,1-2H3/b10-3-/t9-/m1/s1
InChIKeyKNZSWMBYILQCLH-VCJKKXKTSA-N
MW242.32 g/mol
LogP-1.50
Rot. Bonds5

About (Z)-4-amino-2-(methylamino)-1-[(3R)-3-(methylaminomethyl)morpholin-4-yl]but-2-en-1-one

(Z)-4-amino-2-(methylamino)-1-[(3R)-3-(methylaminomethyl)morpholin-4-yl]but-2-en-1-one (PubChem CID 130179833) has the molecular formula C11H22N4O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is (Z)-4-amino-2-(methylamino)-1-[(3R)-3-(methylaminomethyl)morpholin-4-yl]but-2-en-1-one.

Molecular Properties

Compound Name(Z)-4-amino-2-(methylamino)-1-[(3R)-3-(methylaminomethyl)morpholin-4-yl]but-2-en-1-one
PubChem CID130179833
Molecular FormulaC11H22N4O2
Molecular Weight242.32 g/mol
Exact Mass242.17
IUPAC Name(Z)-4-amino-2-(methylamino)-1-[(3R)-3-(methylaminomethyl)morpholin-4-yl]but-2-en-1-one
SMILESCNC[C@@H]1COCCN1C(=O)/C(=C/CN)NC
InChIInChI=1S/C11H22N4O2/c1-13-7-9-8-17-6-5-15(9)11(16)10(14-2)3-4-12/h3,9,13-14H,4-8,12H2,1-2H3/b10-3-/t9-/m1/s1
InChIKeyKNZSWMBYILQCLH-VCJKKXKTSA-N
XLogP-1.50
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 5-1.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (Z)-4-amino-2-(methylamino)-1-[(3R)-3-(methylaminomethyl)morpholin-4-yl]but-2-en-1-one 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-(3-ethylmorpholin-4-yl)-2-oxoacetohydrazide
CID 43613615
[3-(methylaminomethyl)morpholin-4-yl]-pyridin-4-ylmethanone
CID 115270933
2-hydroxyethyl 3-ethylmorpholine-4-carboxylate
CID 79349487
3-(3-ethylmorpholin-4-yl)-3-oxopropanethioamide
CID 43613382
4-amino-3-(3-ethylmorpholin-4-yl)-N-methylbutanamide
CID 66427985
4-amino-1-(3-ethylmorpholin-4-yl)-2-methylbutan-1-one
CID 80542052
3-ethylmorpholine-4-carbonyl chloride
CID 79887430
N-(2-aminoethyl)-3-ethyl-N-methylmorpholine-4-carboxamide
CID 82509083
N-[[(3R)-4-[(Z)-4-amino-2-hydroxybut-2-enoyl]morpholin-3-yl]methyl]-4-[1-[(2,2,2-trifluoro-1-hydroxyethyl)amino]ethyl]benzamide
CID 130180462
1-[3-(methylaminomethyl)morpholin-4-yl]-4-(1H-pyrrol-2-yl)butan-1-one
CID 115270975
2-amino-1-(3-ethylmorpholin-4-yl)propan-1-one
CID 43613241
3-(acetamidomethyl)morpholine-4-carboxylic acid
CID 174875901

Frequently Asked Questions

What is the IUPAC name of (Z)-4-amino-2-(methylamino)-1-[(3R)-3-(methylaminomethyl)morpholin-4-yl]but-2-en-1-one?
The IUPAC name of (Z)-4-amino-2-(methylamino)-1-[(3R)-3-(methylaminomethyl)morpholin-4-yl]but-2-en-1-one (CID 130179833) is (Z)-4-amino-2-(methylamino)-1-[(3R)-3-(methylaminomethyl)morpholin-4-yl]but-2-en-1-one.
What is the SMILES notation for (Z)-4-amino-2-(methylamino)-1-[(3R)-3-(methylaminomethyl)morpholin-4-yl]but-2-en-1-one?
The canonical SMILES for (Z)-4-amino-2-(methylamino)-1-[(3R)-3-(methylaminomethyl)morpholin-4-yl]but-2-en-1-one is CNC[C@@H]1COCCN1C(=O)/C(=C/CN)NC.
What is the InChIKey of (Z)-4-amino-2-(methylamino)-1-[(3R)-3-(methylaminomethyl)morpholin-4-yl]but-2-en-1-one?
The InChIKey is KNZSWMBYILQCLH-VCJKKXKTSA-N. The full InChI is InChI=1S/C11H22N4O2/c1-13-7-9-8-17-6-5-15(9)11(16)10(14-2)3-4-12/h3,9,13-14H,4-8,12H2,1-2H3/b10-3-/t9-/m1/s1.
What are the key properties of (Z)-4-amino-2-(methylamino)-1-[(3R)-3-(methylaminomethyl)morpholin-4-yl]but-2-en-1-one?
(Z)-4-amino-2-(methylamino)-1-[(3R)-3-(methylaminomethyl)morpholin-4-yl]but-2-en-1-one has a molecular weight of 242.32 g/mol, XLogP of -1.50, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-amino-2-(methylamino)-1-[(3R)-3-(methylaminomethyl)morpholin-4-yl]but-2-en-1-one is sourced from PubChem (CID 130179833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).