fermium;4-oxo-4-[2-[4-oxo-4-[2-(oxomethylamino)ethylamino]butanoyl]oxyethoxy]butanoic acid

C13H19FmN2O8- — CID 168904052

IUPACfermium;4-oxo-4-[2-[4-oxo-4-[2-(oxomethylamino)ethylamino]butanoyl]oxyethoxy]butanoic acid
SMILESO=[C-]NCCNC(=O)CCC(=O)OCCOC(=O)CCC(=O)O.[Fm]
InChIInChI=1S/C13H19N2O8.Fm/c16-9-14-5-6-15-10(17)1-3-12(20)22-7-8-23-13(21)4-2-11(18)19;/h1-8H2,(H,14,16)(H,15,17)(H,18,19);/q-1;
InChIKeyOEPHNDWCAWHKOG-UHFFFAOYSA-N
MW588.30 g/mol
LogP-1.51
Rot. Bonds13

About fermium;4-oxo-4-[2-[4-oxo-4-[2-(oxomethylamino)ethylamino]butanoyl]oxyethoxy]butanoic acid

fermium;4-oxo-4-[2-[4-oxo-4-[2-(oxomethylamino)ethylamino]butanoyl]oxyethoxy]butanoic acid (PubChem CID 168904052) has the molecular formula C13H19FmN2O8- and a molecular weight of 588.30 g/mol. Its IUPAC name is fermium;4-oxo-4-[2-[4-oxo-4-[2-(oxomethylamino)ethylamino]butanoyl]oxyethoxy]butanoic acid.

Molecular Properties

Compound Namefermium;4-oxo-4-[2-[4-oxo-4-[2-(oxomethylamino)ethylamino]butanoyl]oxyethoxy]butanoic acid
PubChem CID168904052
Molecular FormulaC13H19FmN2O8-
Molecular Weight588.30 g/mol
Exact Mass588.21
IUPAC Namefermium;4-oxo-4-[2-[4-oxo-4-[2-(oxomethylamino)ethylamino]butanoyl]oxyethoxy]butanoic acid
SMILESO=[C-]NCCNC(=O)CCC(=O)OCCOC(=O)CCC(=O)O.[Fm]
InChIInChI=1S/C13H19N2O8.Fm/c16-9-14-5-6-15-10(17)1-3-12(20)22-7-8-23-13(21)4-2-11(18)19;/h1-8H2,(H,14,16)(H,15,17)(H,18,19);/q-1;
InChIKeyOEPHNDWCAWHKOG-UHFFFAOYSA-N
XLogP-1.51
TPSA148.10 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500588.30
LogP ≤ 5-1.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

Analyze fermium;4-oxo-4-[2-[4-oxo-4-[2-(oxomethylamino)ethylamino]butanoyl]oxyethoxy]butanoic acid 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

4-[2-[2-(3-carboxypropanoylamino)acetyl]oxyethylamino]-4-oxobutanoic acid
CID 20648247
4-[6-(3-carboxypropanoylamino)hexylamino]-4-oxobutanoic acid
CID 3888239
3-phenylpropyl 4-oxo-4-[3-[[4-oxo-4-(3-phenylpropoxy)butanoyl]amino]propylamino]butanoate
CID 4935321
3-phenylpropyl 4-oxo-4-(2-phenylethylamino)butanoate
CID 4934229
3-phenylpropyl 4-oxo-4-[6-[[4-oxo-4-(3-phenylpropoxy)butanoyl]amino]hexylamino]butanoate
CID 4935320
4-(2-bromoethoxy)-4-oxobutanoic acid
CID 3289614
4-[3-(3-hydrazinylphenoxy)propylamino]-4-oxobutanoic acid
CID 59448109
4-[4-[2-(3-carboxypropanoyloxy)ethoxy]butoxy]-4-oxobutanoic acid
CID 89178356
ethyl 4-[2-(2-methylprop-2-enoylamino)ethylamino]-4-oxobutanoate
CID 138741807
4-[2-[bis[2-(3-carboxypropanoyloxy)ethyl]amino]ethoxy]-4-oxobutanoic acid
CID 59383186
6-[4-[4-[4-[4-[4-(3-carboxypropanoyloxy)butoxy]-4-oxobutanoyl]oxybutoxy]-4-oxobutanoyl]oxybutoxy]-6-oxohexanoic acid
CID 101096929
4-(8-aminooctylamino)-4-oxobutanoic acid
CID 118437583

Frequently Asked Questions

What is the IUPAC name of fermium;4-oxo-4-[2-[4-oxo-4-[2-(oxomethylamino)ethylamino]butanoyl]oxyethoxy]butanoic acid?
The IUPAC name of fermium;4-oxo-4-[2-[4-oxo-4-[2-(oxomethylamino)ethylamino]butanoyl]oxyethoxy]butanoic acid (CID 168904052) is fermium;4-oxo-4-[2-[4-oxo-4-[2-(oxomethylamino)ethylamino]butanoyl]oxyethoxy]butanoic acid.
What is the SMILES notation for fermium;4-oxo-4-[2-[4-oxo-4-[2-(oxomethylamino)ethylamino]butanoyl]oxyethoxy]butanoic acid?
The canonical SMILES for fermium;4-oxo-4-[2-[4-oxo-4-[2-(oxomethylamino)ethylamino]butanoyl]oxyethoxy]butanoic acid is O=[C-]NCCNC(=O)CCC(=O)OCCOC(=O)CCC(=O)O.[Fm].
What is the InChIKey of fermium;4-oxo-4-[2-[4-oxo-4-[2-(oxomethylamino)ethylamino]butanoyl]oxyethoxy]butanoic acid?
The InChIKey is OEPHNDWCAWHKOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N2O8.Fm/c16-9-14-5-6-15-10(17)1-3-12(20)22-7-8-23-13(21)4-2-11(18)19;/h1-8H2,(H,14,16)(H,15,17)(H,18,19);/q-1;.
What are the key properties of fermium;4-oxo-4-[2-[4-oxo-4-[2-(oxomethylamino)ethylamino]butanoyl]oxyethoxy]butanoic acid?
fermium;4-oxo-4-[2-[4-oxo-4-[2-(oxomethylamino)ethylamino]butanoyl]oxyethoxy]butanoic acid has a molecular weight of 588.30 g/mol, XLogP of -1.51, 13 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for fermium;4-oxo-4-[2-[4-oxo-4-[2-(oxomethylamino)ethylamino]butanoyl]oxyethoxy]butanoic acid is sourced from PubChem (CID 168904052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).