5-pentoxy-2-(propylaminomethyl)pentanoic acid

C14H29NO3 — CID 155752215

IUPAC5-pentoxy-2-(propylaminomethyl)pentanoic acid
SMILESCCCCCOCCCC(CNCCC)C(=O)O
InChIInChI=1S/C14H29NO3/c1-3-5-6-10-18-11-7-8-13(14(16)17)12-15-9-4-2/h13,15H,3-12H2,1-2H3,(H,16,17)
InChIKeyTVQYGJSJNDGVHV-UHFFFAOYSA-N
MW259.39 g/mol
LogP2.67
Rot. Bonds13

About 5-pentoxy-2-(propylaminomethyl)pentanoic acid

5-pentoxy-2-(propylaminomethyl)pentanoic acid (PubChem CID 155752215) has the molecular formula C14H29NO3 and a molecular weight of 259.39 g/mol. Its IUPAC name is 5-pentoxy-2-(propylaminomethyl)pentanoic acid.

Molecular Properties

Compound Name5-pentoxy-2-(propylaminomethyl)pentanoic acid
PubChem CID155752215
Molecular FormulaC14H29NO3
Molecular Weight259.39 g/mol
Exact Mass259.21
IUPAC Name5-pentoxy-2-(propylaminomethyl)pentanoic acid
SMILESCCCCCOCCCC(CNCCC)C(=O)O
InChIInChI=1S/C14H29NO3/c1-3-5-6-10-18-11-7-8-13(14(16)17)12-15-9-4-2/h13,15H,3-12H2,1-2H3,(H,16,17)
InChIKeyTVQYGJSJNDGVHV-UHFFFAOYSA-N
XLogP2.67
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;2-(ethylaminomethyl)-5-pentoxypentanoic acid
CID 156794727
2-(propylaminomethyl)hexanoic acid;dihydrochloride
CID 142749196
2-[(tetradecylamino)methyl]tetradecanoic acid
CID 57192741
5-(4-methylpentoxy)-2-[(2-methylpropylamino)methyl]pentanoic acid;molecular hydrogen
CID 159075229
3-(2-butoxyethylamino)-2-methylpropanoic acid
CID 61171284
1-pentoxy-3-(propylamino)propan-2-ol
CID 43275105
3-pentoxy-N-propylpropan-1-amine
CID 62451352
bis(2-octoxy-N-(2-octoxyethyl)ethanamine);oxalic acid
CID 171700708
2-butyl-6-(pentylamino)hexanoic acid
CID 91087810
2-(methylamino)-4-pentoxybutanoic acid
CID 63034607
5-pentoxy-N-propylpentan-1-amine
CID 62451179
N-(2-undecoxyethyl)propan-1-amine
CID 22091510

Frequently Asked Questions

What is the IUPAC name of 5-pentoxy-2-(propylaminomethyl)pentanoic acid?
The IUPAC name of 5-pentoxy-2-(propylaminomethyl)pentanoic acid (CID 155752215) is 5-pentoxy-2-(propylaminomethyl)pentanoic acid.
What is the SMILES notation for 5-pentoxy-2-(propylaminomethyl)pentanoic acid?
The canonical SMILES for 5-pentoxy-2-(propylaminomethyl)pentanoic acid is CCCCCOCCCC(CNCCC)C(=O)O.
What is the InChIKey of 5-pentoxy-2-(propylaminomethyl)pentanoic acid?
The InChIKey is TVQYGJSJNDGVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO3/c1-3-5-6-10-18-11-7-8-13(14(16)17)12-15-9-4-2/h13,15H,3-12H2,1-2H3,(H,16,17).
What are the key properties of 5-pentoxy-2-(propylaminomethyl)pentanoic acid?
5-pentoxy-2-(propylaminomethyl)pentanoic acid has a molecular weight of 259.39 g/mol, XLogP of 2.67, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pentoxy-2-(propylaminomethyl)pentanoic acid is sourced from PubChem (CID 155752215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).