[5-[formyl-[(Z)-2-methyl-3-(methylamino)-3-oxoprop-1-enyl]amino]oxolan-2-yl]methyl 4-aminobutanoate

C15H25N3O5 — CID 177044439

IUPAC[5-[formyl-[(Z)-2-methyl-3-(methylamino)-3-oxoprop-1-enyl]amino]oxolan-2-yl]methyl 4-aminobutanoate
SMILESCNC(=O)/C(C)=C\N(C=O)C1CCC(COC(=O)CCCN)O1
InChIInChI=1S/C15H25N3O5/c1-11(15(21)17-2)8-18(10-19)13-6-5-12(23-13)9-22-14(20)4-3-7-16/h8,10,12-13H,3-7,9,16H2,1-2H3,(H,17,21)/b11-8-
InChIKeyUWFLXOCXKWZDIF-FLIBITNWSA-N
MW327.38 g/mol
LogP-0.12
Rot. Bonds9

About [5-[formyl-[(Z)-2-methyl-3-(methylamino)-3-oxoprop-1-enyl]amino]oxolan-2-yl]methyl 4-aminobutanoate

[5-[formyl-[(Z)-2-methyl-3-(methylamino)-3-oxoprop-1-enyl]amino]oxolan-2-yl]methyl 4-aminobutanoate (PubChem CID 177044439) has the molecular formula C15H25N3O5 and a molecular weight of 327.38 g/mol. Its IUPAC name is [5-[formyl-[(Z)-2-methyl-3-(methylamino)-3-oxoprop-1-enyl]amino]oxolan-2-yl]methyl 4-aminobutanoate.

Molecular Properties

Compound Name[5-[formyl-[(Z)-2-methyl-3-(methylamino)-3-oxoprop-1-enyl]amino]oxolan-2-yl]methyl 4-aminobutanoate
PubChem CID177044439
Molecular FormulaC15H25N3O5
Molecular Weight327.38 g/mol
Exact Mass327.18
IUPAC Name[5-[formyl-[(Z)-2-methyl-3-(methylamino)-3-oxoprop-1-enyl]amino]oxolan-2-yl]methyl 4-aminobutanoate
SMILESCNC(=O)/C(C)=C\N(C=O)C1CCC(COC(=O)CCCN)O1
InChIInChI=1S/C15H25N3O5/c1-11(15(21)17-2)8-18(10-19)13-6-5-12(23-13)9-22-14(20)4-3-7-16/h8,10,12-13H,3-7,9,16H2,1-2H3,(H,17,21)/b11-8-
InChIKeyUWFLXOCXKWZDIF-FLIBITNWSA-N
XLogP-0.12
TPSA110.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [5-[formyl-[(Z)-2-methyl-3-(methylamino)-3-oxoprop-1-enyl]amino]oxolan-2-yl]methyl 4-aminobutanoate 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

[5-[formyl-[(Z)-2-(hydroxymethyl)-3-(methylamino)-3-oxoprop-1-enyl]amino]oxolan-2-yl]methyl 2-aminoacetate;methanol;propane
CID 156804024
(Z)-3-[formyl-[5-(hydroxymethyl)oxolan-2-yl]amino]-2-(methoxymethyl)-N-methylprop-2-enamide
CID 142117800
CID 156803900
CID 156803900
methyl (Z)-4-[formyl-[5-(3-methylbutan-2-yl)oxolan-2-yl]amino]-3-(methylcarbamoyl)but-3-enoate
CID 146429654
oxiran-2-ylmethyl 12-aminododecanoate
CID 139945465
[(2S,5S)-5-(iodomethyl)oxolan-2-yl]methyl pentanoate
CID 118183523
[5-[formyl-[(Z)-3-(methylamino)-3-oxoprop-1-enyl]amino]oxolan-2-yl]methyl 3-chlorobenzoate
CID 171528800
(Z)-2-formyl-3-[formyl-[5-(trihydroxymethyl)oxolan-2-yl]amino]-N-methylprop-2-enamide
CID 153342466
[[(2S)-5-[[(Z)-7-(16-aminohexadecanoylamino)-2-(N'-methylcarbamimidoyl)hept-1-en-3-ynyl]-formylamino]oxolan-2-yl]methoxy-methoxyphosphanyl] dimethoxyphosphanyl methyl phosphite
CID 129232277
methyl 8-(5-formyloxolan-2-yl)octanoate
CID 54550798
(5-tridecyloxolan-2-yl)methyl 5-chloropentanoate
CID 14326609
[(2R,5R)-5-(hydroxymethyl)oxolan-2-yl]methyl butanoate
CID 118169205

Frequently Asked Questions

What is the IUPAC name of [5-[formyl-[(Z)-2-methyl-3-(methylamino)-3-oxoprop-1-enyl]amino]oxolan-2-yl]methyl 4-aminobutanoate?
The IUPAC name of [5-[formyl-[(Z)-2-methyl-3-(methylamino)-3-oxoprop-1-enyl]amino]oxolan-2-yl]methyl 4-aminobutanoate (CID 177044439) is [5-[formyl-[(Z)-2-methyl-3-(methylamino)-3-oxoprop-1-enyl]amino]oxolan-2-yl]methyl 4-aminobutanoate.
What is the SMILES notation for [5-[formyl-[(Z)-2-methyl-3-(methylamino)-3-oxoprop-1-enyl]amino]oxolan-2-yl]methyl 4-aminobutanoate?
The canonical SMILES for [5-[formyl-[(Z)-2-methyl-3-(methylamino)-3-oxoprop-1-enyl]amino]oxolan-2-yl]methyl 4-aminobutanoate is CNC(=O)/C(C)=C\N(C=O)C1CCC(COC(=O)CCCN)O1.
What is the InChIKey of [5-[formyl-[(Z)-2-methyl-3-(methylamino)-3-oxoprop-1-enyl]amino]oxolan-2-yl]methyl 4-aminobutanoate?
The InChIKey is UWFLXOCXKWZDIF-FLIBITNWSA-N. The full InChI is InChI=1S/C15H25N3O5/c1-11(15(21)17-2)8-18(10-19)13-6-5-12(23-13)9-22-14(20)4-3-7-16/h8,10,12-13H,3-7,9,16H2,1-2H3,(H,17,21)/b11-8-.
What are the key properties of [5-[formyl-[(Z)-2-methyl-3-(methylamino)-3-oxoprop-1-enyl]amino]oxolan-2-yl]methyl 4-aminobutanoate?
[5-[formyl-[(Z)-2-methyl-3-(methylamino)-3-oxoprop-1-enyl]amino]oxolan-2-yl]methyl 4-aminobutanoate has a molecular weight of 327.38 g/mol, XLogP of -0.12, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[formyl-[(Z)-2-methyl-3-(methylamino)-3-oxoprop-1-enyl]amino]oxolan-2-yl]methyl 4-aminobutanoate is sourced from PubChem (CID 177044439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).