4-[5-(methylamino)pentylamino]-4-oxobutanoic acid;yttrium

C10H20N2O3Y — CID 59926153

IUPAC4-[5-(methylamino)pentylamino]-4-oxobutanoic acid;yttrium
SMILESCNCCCCCNC(=O)CCC(=O)O.[Y]
InChIInChI=1S/C10H20N2O3.Y/c1-11-7-3-2-4-8-12-9(13)5-6-10(14)15;/h11H,2-8H2,1H3,(H,12,13)(H,14,15);
InChIKeyITJIPDFRSVCYOE-UHFFFAOYSA-N
MW305.19 g/mol
LogP0.35
Rot. Bonds9

About 4-[5-(methylamino)pentylamino]-4-oxobutanoic acid;yttrium

4-[5-(methylamino)pentylamino]-4-oxobutanoic acid;yttrium (PubChem CID 59926153) has the molecular formula C10H20N2O3Y and a molecular weight of 305.19 g/mol. Its IUPAC name is 4-[5-(methylamino)pentylamino]-4-oxobutanoic acid;yttrium.

Molecular Properties

Compound Name4-[5-(methylamino)pentylamino]-4-oxobutanoic acid;yttrium
PubChem CID59926153
Molecular FormulaC10H20N2O3Y
Molecular Weight305.19 g/mol
Exact Mass305.05
IUPAC Name4-[5-(methylamino)pentylamino]-4-oxobutanoic acid;yttrium
SMILESCNCCCCCNC(=O)CCC(=O)O.[Y]
InChIInChI=1S/C10H20N2O3.Y/c1-11-7-3-2-4-8-12-9(13)5-6-10(14)15;/h11H,2-8H2,1H3,(H,12,13)(H,14,15);
InChIKeyITJIPDFRSVCYOE-UHFFFAOYSA-N
XLogP0.35
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.19
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[6-(3-carboxypropanoylamino)hexylamino]-4-oxobutanoic acid
CID 3888239
7-[4-(methylamino)butanoylamino]heptanoic acid
CID 61158719
10-[3-(methylamino)propylamino]-10-oxodecanoic acid
CID 87169049
4-[[2-[11-[[2-(3-carboxypropanoylamino)acetyl]amino]undecylamino]-2-oxoethyl]amino]-4-oxobutanoic acid
CID 89444985
4-(6-hydroxyhexylamino)-4-oxobutanoic acid
CID 82675255
6-(methylamino)hexanoic acid
CID 4989372
4-(8-aminooctylamino)-4-oxobutanoic acid
CID 118437583
6-(methylamino)-N-(6-oxohexyl)hexanamide
CID 134554361
12-[[14-(11-carboxyundecylamino)-14-oxotetradecanoyl]amino]dodecanoic acid
CID 139798562
9-[6-(8-carboxyoctanoylamino)hexylamino]-9-oxononanoic acid
CID 139798563
5-(methylamino)pentanoic acid
CID 91583432
4-[5-(carboxymethylcarbamoylamino)pentylamino]-4-oxobutanoic acid
CID 144662946

Frequently Asked Questions

What is the IUPAC name of 4-[5-(methylamino)pentylamino]-4-oxobutanoic acid;yttrium?
The IUPAC name of 4-[5-(methylamino)pentylamino]-4-oxobutanoic acid;yttrium (CID 59926153) is 4-[5-(methylamino)pentylamino]-4-oxobutanoic acid;yttrium.
What is the SMILES notation for 4-[5-(methylamino)pentylamino]-4-oxobutanoic acid;yttrium?
The canonical SMILES for 4-[5-(methylamino)pentylamino]-4-oxobutanoic acid;yttrium is CNCCCCCNC(=O)CCC(=O)O.[Y].
What is the InChIKey of 4-[5-(methylamino)pentylamino]-4-oxobutanoic acid;yttrium?
The InChIKey is ITJIPDFRSVCYOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3.Y/c1-11-7-3-2-4-8-12-9(13)5-6-10(14)15;/h11H,2-8H2,1H3,(H,12,13)(H,14,15);.
What are the key properties of 4-[5-(methylamino)pentylamino]-4-oxobutanoic acid;yttrium?
4-[5-(methylamino)pentylamino]-4-oxobutanoic acid;yttrium has a molecular weight of 305.19 g/mol, XLogP of 0.35, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(methylamino)pentylamino]-4-oxobutanoic acid;yttrium is sourced from PubChem (CID 59926153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).