7-(3-propoxypropanoylamino)heptanoic acid

C13H25NO4 — CID 62688600

IUPAC7-(3-propoxypropanoylamino)heptanoic acid
SMILESCCCOCCC(=O)NCCCCCCC(=O)O
InChIInChI=1S/C13H25NO4/c1-2-10-18-11-8-12(15)14-9-6-4-3-5-7-13(16)17/h2-11H2,1H3,(H,14,15)(H,16,17)
InChIKeyBSJZHTSMJQLZJE-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.95
Rot. Bonds12

About 7-(3-propoxypropanoylamino)heptanoic acid

7-(3-propoxypropanoylamino)heptanoic acid (PubChem CID 62688600) has the molecular formula C13H25NO4 and a molecular weight of 259.35 g/mol. Its IUPAC name is 7-(3-propoxypropanoylamino)heptanoic acid.

Molecular Properties

Compound Name7-(3-propoxypropanoylamino)heptanoic acid
PubChem CID62688600
Molecular FormulaC13H25NO4
Molecular Weight259.35 g/mol
Exact Mass259.18
IUPAC Name7-(3-propoxypropanoylamino)heptanoic acid
SMILESCCCOCCC(=O)NCCCCCCC(=O)O
InChIInChI=1S/C13H25NO4/c1-2-10-18-11-8-12(15)14-9-6-4-3-5-7-13(16)17/h2-11H2,1H3,(H,14,15)(H,16,17)
InChIKeyBSJZHTSMJQLZJE-UHFFFAOYSA-N
XLogP1.95
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.95
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

16-oxo-16-(2-propoxyethylamino)hexadecanoic acid
CID 122592174
7-[3-[2-(butoxymethyl)-2-methyl-3-propoxypropoxy]propanoylamino]heptanoic acid
CID 123428462
5-oxo-5-(3-propoxypropylamino)pentanoic acid
CID 82941574
8-[8-[3-[3-[3-[[8-(7-carboxyheptylamino)-8-oxooctyl]amino]-3-oxopropoxy]-2-[[3-[[8-(7-carboxyheptylamino)-8-oxooctyl]amino]-3-oxopropoxy]methyl]-2-methylpropoxy]propanoylamino]octanoylamino]octanoic acid
CID 118440203
16-(butanoylamino)hexadecanoic acid
CID 118711043
6-(hexylamino)-6-oxohexanoic acid
CID 22448385
11-(dodecanoylamino)undecanoic acid
CID 4163254
8-[3-[2-[2-[2-[3-[3-[3-[2-[2-[2-[3-(7-carboxyheptylamino)-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]-2-[[3-[2-[2-[2-[3-(7-carboxyheptylamino)-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]-2-methylpropoxy]propanoylamino]ethoxy]ethoxy]ethoxy]propanoylamino]octanoic acid
CID 118440317
18-[[6-(2-ethoxyethylamino)-6-oxohexyl]amino]-18-oxooctadecanoic acid
CID 176877409
ethane;3-propoxy-N-propylpropanamide
CID 163269237
3-(2-propoxyethoxy)-N-propylpropanamide
CID 163586322
12-[[14-(11-carboxyundecylamino)-14-oxotetradecanoyl]amino]dodecanoic acid
CID 139798562

Frequently Asked Questions

What is the IUPAC name of 7-(3-propoxypropanoylamino)heptanoic acid?
The IUPAC name of 7-(3-propoxypropanoylamino)heptanoic acid (CID 62688600) is 7-(3-propoxypropanoylamino)heptanoic acid.
What is the SMILES notation for 7-(3-propoxypropanoylamino)heptanoic acid?
The canonical SMILES for 7-(3-propoxypropanoylamino)heptanoic acid is CCCOCCC(=O)NCCCCCCC(=O)O.
What is the InChIKey of 7-(3-propoxypropanoylamino)heptanoic acid?
The InChIKey is BSJZHTSMJQLZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO4/c1-2-10-18-11-8-12(15)14-9-6-4-3-5-7-13(16)17/h2-11H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 7-(3-propoxypropanoylamino)heptanoic acid?
7-(3-propoxypropanoylamino)heptanoic acid has a molecular weight of 259.35 g/mol, XLogP of 1.95, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-propoxypropanoylamino)heptanoic acid is sourced from PubChem (CID 62688600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).