ethane;5-(methylamino)pentanoic acid

C8H19NO2 — CID 178043439

IUPACethane;5-(methylamino)pentanoic acid
SMILESCC.CNCCCCC(=O)O
InChIInChI=1S/C6H13NO2.C2H6/c1-7-5-3-2-4-6(8)9;1-2/h7H,2-5H2,1H3,(H,8,9);1-2H3
InChIKeyKNELCYUQGMXITA-UHFFFAOYSA-N
MW161.25 g/mol
LogP1.49
Rot. Bonds5

About ethane;5-(methylamino)pentanoic acid

ethane;5-(methylamino)pentanoic acid (PubChem CID 178043439) has the molecular formula C8H19NO2 and a molecular weight of 161.25 g/mol. Its IUPAC name is ethane;5-(methylamino)pentanoic acid.

Molecular Properties

Compound Nameethane;5-(methylamino)pentanoic acid
PubChem CID178043439
Molecular FormulaC8H19NO2
Molecular Weight161.25 g/mol
Exact Mass161.14
IUPAC Nameethane;5-(methylamino)pentanoic acid
SMILESCC.CNCCCCC(=O)O
InChIInChI=1S/C6H13NO2.C2H6/c1-7-5-3-2-4-6(8)9;1-2/h7H,2-5H2,1H3,(H,8,9);1-2H3
InChIKeyKNELCYUQGMXITA-UHFFFAOYSA-N
XLogP1.49
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethane;5-(methylamino)pentanoic 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

5-(methylamino)pentanoic acid
CID 91583432
6-(methylamino)hexanoic acid
CID 4989372
Butanoic acid, 4-(methylamino)-, sodium salt (1:1)
CID 162082656
hexanoic acid;N-methyltridecan-1-amine
CID 173175224
dilithium;hydride;4-(methylamino)butanoic acid
CID 173352430
4-[2-[2-[2-[4-(methylamino)butylamino]ethylamino]ethylamino]ethylamino]butanoic acid
CID 168831569
disodium;hydride;4-(methylamino)butanoic acid;sulfane
CID 175037506
7-[4-(methylamino)butanoylamino]heptanoic acid
CID 61158719
ethane;10-(methylamino)decan-2-one;molecular hydrogen
CID 164864463
10-[3-(methylamino)propylamino]-10-oxodecanoic acid
CID 87169049
dibutyltin;bis(6-(methylamino)hexanoic acid)
CID 175286402
ethane;7-(methylamino)heptan-2-one
CID 176694896

Frequently Asked Questions

What is the IUPAC name of ethane;5-(methylamino)pentanoic acid?
The IUPAC name of ethane;5-(methylamino)pentanoic acid (CID 178043439) is ethane;5-(methylamino)pentanoic acid.
What is the SMILES notation for ethane;5-(methylamino)pentanoic acid?
The canonical SMILES for ethane;5-(methylamino)pentanoic acid is CC.CNCCCCC(=O)O.
What is the InChIKey of ethane;5-(methylamino)pentanoic acid?
The InChIKey is KNELCYUQGMXITA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2.C2H6/c1-7-5-3-2-4-6(8)9;1-2/h7H,2-5H2,1H3,(H,8,9);1-2H3.
What are the key properties of ethane;5-(methylamino)pentanoic acid?
ethane;5-(methylamino)pentanoic acid has a molecular weight of 161.25 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-(methylamino)pentanoic acid is sourced from PubChem (CID 178043439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).