5-oxo-5-(3-propoxypropylamino)pentanoic acid

C11H21NO4 — CID 82941574

IUPAC5-oxo-5-(3-propoxypropylamino)pentanoic acid
SMILESCCCOCCCNC(=O)CCCC(=O)O
InChIInChI=1S/C11H21NO4/c1-2-8-16-9-4-7-12-10(13)5-3-6-11(14)15/h2-9H2,1H3,(H,12,13)(H,14,15)
InChIKeyQBEKCNJZHGCAGJ-UHFFFAOYSA-N
MW231.29 g/mol
LogP1.17
Rot. Bonds10

About 5-oxo-5-(3-propoxypropylamino)pentanoic acid

5-oxo-5-(3-propoxypropylamino)pentanoic acid (PubChem CID 82941574) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is 5-oxo-5-(3-propoxypropylamino)pentanoic acid.

Molecular Properties

Compound Name5-oxo-5-(3-propoxypropylamino)pentanoic acid
PubChem CID82941574
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Name5-oxo-5-(3-propoxypropylamino)pentanoic acid
SMILESCCCOCCCNC(=O)CCCC(=O)O
InChIInChI=1S/C11H21NO4/c1-2-8-16-9-4-7-12-10(13)5-3-6-11(14)15/h2-9H2,1H3,(H,12,13)(H,14,15)
InChIKeyQBEKCNJZHGCAGJ-UHFFFAOYSA-N
XLogP1.17
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 51.17
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

5-[3-[2-[2-[3-(4-carboxybutanoylamino)propoxy]ethoxy]ethoxy]propylamino]-5-oxopentanoic acid
CID 89212622
16-oxo-16-(2-propoxyethylamino)hexadecanoic acid
CID 122592174
7-(3-propoxypropanoylamino)heptanoic acid
CID 62688600
N'-(3-propoxypropyl)butanediamide
CID 153375512
2-methoxy-N-(3-propoxypropyl)acetamide
CID 82947081
molecular hydrogen;N'-(4-propanoylcyclohexyl)-N-(3-propoxypropyl)pentanediamide
CID 178126244
N'-(3-butoxypropyl)-N-butylbutanediamide
CID 4602776
5-oxo-N-[3-[2-[2-[3-(pentanoylamino)propoxy]ethoxy]ethoxy]propyl]hexanamide
CID 129222312
6-(butylamino)-6-oxohexanoic acid
CID 43529485
7-[3-[2-(butoxymethyl)-2-methyl-3-propoxypropoxy]propanoylamino]heptanoic acid
CID 123428462
4-amino-N-(3-propoxypropyl)pentanamide
CID 82942655
N-methyl-N'-[2-(2-propoxyethoxy)ethyl]pentanediamide
CID 176584959

Frequently Asked Questions

What is the IUPAC name of 5-oxo-5-(3-propoxypropylamino)pentanoic acid?
The IUPAC name of 5-oxo-5-(3-propoxypropylamino)pentanoic acid (CID 82941574) is 5-oxo-5-(3-propoxypropylamino)pentanoic acid.
What is the SMILES notation for 5-oxo-5-(3-propoxypropylamino)pentanoic acid?
The canonical SMILES for 5-oxo-5-(3-propoxypropylamino)pentanoic acid is CCCOCCCNC(=O)CCCC(=O)O.
What is the InChIKey of 5-oxo-5-(3-propoxypropylamino)pentanoic acid?
The InChIKey is QBEKCNJZHGCAGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-2-8-16-9-4-7-12-10(13)5-3-6-11(14)15/h2-9H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 5-oxo-5-(3-propoxypropylamino)pentanoic acid?
5-oxo-5-(3-propoxypropylamino)pentanoic acid has a molecular weight of 231.29 g/mol, XLogP of 1.17, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-5-(3-propoxypropylamino)pentanoic acid is sourced from PubChem (CID 82941574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).