4-(8-aminooctylamino)-4-oxobutanoic acid

C12H24N2O3 — CID 118437583

IUPAC4-(8-aminooctylamino)-4-oxobutanoic acid
SMILESNCCCCCCCCNC(=O)CCC(=O)O
InChIInChI=1S/C12H24N2O3/c13-9-5-3-1-2-4-6-10-14-11(15)7-8-12(16)17/h1-10,13H2,(H,14,15)(H,16,17)
InChIKeySCSXZUCZWWMUPG-UHFFFAOYSA-N
MW244.33 g/mol
LogP1.27
Rot. Bonds11

About 4-(8-aminooctylamino)-4-oxobutanoic acid

4-(8-aminooctylamino)-4-oxobutanoic acid (PubChem CID 118437583) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 4-(8-aminooctylamino)-4-oxobutanoic acid.

Molecular Properties

Compound Name4-(8-aminooctylamino)-4-oxobutanoic acid
PubChem CID118437583
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name4-(8-aminooctylamino)-4-oxobutanoic acid
SMILESNCCCCCCCCNC(=O)CCC(=O)O
InChIInChI=1S/C12H24N2O3/c13-9-5-3-1-2-4-6-10-14-11(15)7-8-12(16)17/h1-10,13H2,(H,14,15)(H,16,17)
InChIKeySCSXZUCZWWMUPG-UHFFFAOYSA-N
XLogP1.27
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 51.27
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

15-(6-aminohexanoylamino)pentadecanoic acid
CID 170598253
8-(8-aminooctanoylamino)octanoic acid
CID 16654921
4-[6-(3-carboxypropanoylamino)hexylamino]-4-oxobutanoic acid
CID 3888239
6-(5-aminopentanoylamino)hexanoic acid;ethane
CID 144538701
11-(5-aminopentanoylamino)undecanoic acid;ethane
CID 170598390
4-[5-[[4-[5-[[4-[4-aminobutyl(hydroxy)amino]-4-oxobutanoyl]amino]pentyl-hydroxyamino]-4-oxobutanoyl]amino]pentyl-hydroxyamino]-4-oxobutanoic acid
CID 175663380
6-amino-N-(7-aminoheptyl)hexanamide
CID 56980494
N,N'-bis(12-aminododecyl)octanediamide
CID 58602052
N,N'-bis(7-aminoheptyl)pentanediamide
CID 86136288
11-(3-aminopropanoylamino)undecanoic acid
CID 170417456
N'-(6-aminohexyl)-N-methylbutanediamide
CID 155220266
4-[[2-[11-[[2-(3-carboxypropanoylamino)acetyl]amino]undecylamino]-2-oxoethyl]amino]-4-oxobutanoic acid
CID 89444985

Frequently Asked Questions

What is the IUPAC name of 4-(8-aminooctylamino)-4-oxobutanoic acid?
The IUPAC name of 4-(8-aminooctylamino)-4-oxobutanoic acid (CID 118437583) is 4-(8-aminooctylamino)-4-oxobutanoic acid.
What is the SMILES notation for 4-(8-aminooctylamino)-4-oxobutanoic acid?
The canonical SMILES for 4-(8-aminooctylamino)-4-oxobutanoic acid is NCCCCCCCCNC(=O)CCC(=O)O.
What is the InChIKey of 4-(8-aminooctylamino)-4-oxobutanoic acid?
The InChIKey is SCSXZUCZWWMUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c13-9-5-3-1-2-4-6-10-14-11(15)7-8-12(16)17/h1-10,13H2,(H,14,15)(H,16,17).
What are the key properties of 4-(8-aminooctylamino)-4-oxobutanoic acid?
4-(8-aminooctylamino)-4-oxobutanoic acid has a molecular weight of 244.33 g/mol, XLogP of 1.27, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-aminooctylamino)-4-oxobutanoic acid is sourced from PubChem (CID 118437583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).