SCS-C002181

5-aminopentanoic acid

Pathway: Amino acids and Peptides | Fatty acids Superclass: Fatty Acids and Conjugates | Small peptides Class: Amino fatty acids | Aminoacids

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Chemical Structure

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3D conformers are computationally generated from SMILES by RDKit for visualization and download; they are not experimental crystal or NMR structures.

Download: SDF SMILES

Source Information

Agelas aff. nemoechinata (sponge)

Kingdom Metazoa Phylum Porifera Class Demospongiae Order Agelasida Family Agelasidae Genus Agelas Species NA

Xisha Islands

Master's thesis, Ocean University of China / School of Medicine and Pharmacy, Ocean University of China, 2014.

Drug-likeness (Lipinski Ro5)

Molecular Weight

117.2 Da

Threshold ≤ 500

ALogP

0.20

Threshold ≤ 5

H-Bond Donors

Threshold ≤ 5

H-Bond Acceptors

Threshold ≤ 10

Passes Lipinski Rule of Five — drug-like candidate

Chemical Properties

Molecular Formula:

C5H11NO2

Molecular Weight:

117.1500 Da

SMILES:

NCCCCC(=O)O

InChIKey:

                        JJMDCOVWQOJGCB-UHFFFAOYSA-N
                        
                    

InChI:

InChI=1S/C5H11NO2/c6-4-2-1-3-5(7)8/h1-4,6H2,(H,7,8)

Calculated Properties

ALogP:

0.200 lipophilicity

TPSA:

63.32 Å² polar surface area

H-Bond Donors:

H-Bond Acceptors:

Rotatable Bonds:

Ring Count:

0 (0 aromatic)

Chiral Centers:

Fsp³:

0.8000 fraction sp³ carbon

Database Information

Compound ID:

SCS-C002181

NPClassifier Pathway:

Amino acids and Peptides Fatty acids

NPClassifier Superclass:

Fatty Acids and Conjugates Small peptides

NPClassifier Class:

Amino fatty acids Aminoacids

Glycoside:

NPClassifier Status:

Classified

External Links:

General chemistry

PubChem ChemSpider ChEMBL

Natural product databases

COCONUT NP Atlas

Biological Activity Data

No bioactivity data available for this compound.

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