5-(methylamino)pentanoic acid

C12H26N2O4 — CID 91583432

IUPAC5-(methylamino)pentanoic acid
SMILESCNCCCCC(=O)O.CNCCCCC(=O)O
InChIInChI=1S/2C6H13NO2/c2*1-7-5-3-2-4-6(8)9/h2*7H,2-5H2,1H3,(H,8,9)
InChIKeyHSIJMDDHVMYFNS-UHFFFAOYSA-N
MW262.35 g/mol
LogP0.92
Rot. Bonds10

About 5-(methylamino)pentanoic acid

5-(methylamino)pentanoic acid (PubChem CID 91583432) has the molecular formula C12H26N2O4 and a molecular weight of 262.35 g/mol. Its IUPAC name is 5-(methylamino)pentanoic acid.

Molecular Properties

Compound Name5-(methylamino)pentanoic acid
PubChem CID91583432
Molecular FormulaC12H26N2O4
Molecular Weight262.35 g/mol
Exact Mass262.19
IUPAC Name5-(methylamino)pentanoic acid
SMILESCNCCCCC(=O)O.CNCCCCC(=O)O
InChIInChI=1S/2C6H13NO2/c2*1-7-5-3-2-4-6(8)9/h2*7H,2-5H2,1H3,(H,8,9)
InChIKeyHSIJMDDHVMYFNS-UHFFFAOYSA-N
XLogP0.92
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 50.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-(methylamino)hexanoic acid
CID 4989372
ethane;5-(methylamino)pentanoic acid
CID 178043439
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
10-[3-(methylamino)propylamino]-10-oxodecanoic acid
CID 87169049
dibutyltin;bis(6-(methylamino)hexanoic acid)
CID 175286402
13-(methylamino)tridecan-2-one
CID 23382037
CID 171563781
CID 171563781

Frequently Asked Questions

What is the IUPAC name of 5-(methylamino)pentanoic acid?
The IUPAC name of 5-(methylamino)pentanoic acid (CID 91583432) is 5-(methylamino)pentanoic acid.
What is the SMILES notation for 5-(methylamino)pentanoic acid?
The canonical SMILES for 5-(methylamino)pentanoic acid is CNCCCCC(=O)O.CNCCCCC(=O)O.
What is the InChIKey of 5-(methylamino)pentanoic acid?
The InChIKey is HSIJMDDHVMYFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H13NO2/c2*1-7-5-3-2-4-6(8)9/h2*7H,2-5H2,1H3,(H,8,9).
What are the key properties of 5-(methylamino)pentanoic acid?
5-(methylamino)pentanoic acid has a molecular weight of 262.35 g/mol, XLogP of 0.92, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylamino)pentanoic acid is sourced from PubChem (CID 91583432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).