5-(2-but-3-enoxyethylamino)pentanoic acid

C11H21NO3 — CID 106402163

IUPAC5-(2-but-3-enoxyethylamino)pentanoic acid
SMILESC=CCCOCCNCCCCC(=O)O
InChIInChI=1S/C11H21NO3/c1-2-3-9-15-10-8-12-7-5-4-6-11(13)14/h2,12H,1,3-10H2,(H,13,14)
InChIKeyBQCRHSIIRZVBFH-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.42
Rot. Bonds11

About 5-(2-but-3-enoxyethylamino)pentanoic acid

5-(2-but-3-enoxyethylamino)pentanoic acid (PubChem CID 106402163) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 5-(2-but-3-enoxyethylamino)pentanoic acid.

Molecular Properties

Compound Name5-(2-but-3-enoxyethylamino)pentanoic acid
PubChem CID106402163
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name5-(2-but-3-enoxyethylamino)pentanoic acid
SMILESC=CCCOCCNCCCCC(=O)O
InChIInChI=1S/C11H21NO3/c1-2-3-9-15-10-8-12-7-5-4-6-11(13)14/h2,12H,1,3-10H2,(H,13,14)
InChIKeyBQCRHSIIRZVBFH-UHFFFAOYSA-N
XLogP1.42
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(2-but-3-enoxyethylamino)-6-oxohexanoic acid
CID 106394786
4-but-3-enoxybutanoic acid
CID 10329531
ethyl 6-(2-but-3-enoxyethylamino)hexanoate
CID 106401753
N-(2-but-3-enoxyethyl)hept-6-en-1-amine
CID 106401455
5-[2-[2-(2-ethoxyethoxy)ethoxy]ethylamino]pentanoic acid
CID 175739046
5-(2-docosoxyethylamino)pentanoic acid
CID 155437408
N-(2-but-3-enoxyethyl)-4-phenylbutan-1-amine
CID 114184074
5-[2-[2-[2-[2-[2-[2-[3-(2-prop-2-ynoxyethylamino)propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]pentanoic acid
CID 122688280
4-(2-ethoxyethylamino)butanoic acid
CID 43457194
5-(2-carbamoyloxyethylamino)pentanoic acid
CID 103262155
N-(2-but-3-enoxyethyl)-2-butoxyethanamine
CID 62598699
11-[2-[2-[2-[2-(5-carboxypentylamino)ethylamino]ethylamino]ethylamino]ethylamino]undecanoic acid
CID 18956800

Frequently Asked Questions

What is the IUPAC name of 5-(2-but-3-enoxyethylamino)pentanoic acid?
The IUPAC name of 5-(2-but-3-enoxyethylamino)pentanoic acid (CID 106402163) is 5-(2-but-3-enoxyethylamino)pentanoic acid.
What is the SMILES notation for 5-(2-but-3-enoxyethylamino)pentanoic acid?
The canonical SMILES for 5-(2-but-3-enoxyethylamino)pentanoic acid is C=CCCOCCNCCCCC(=O)O.
What is the InChIKey of 5-(2-but-3-enoxyethylamino)pentanoic acid?
The InChIKey is BQCRHSIIRZVBFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-2-3-9-15-10-8-12-7-5-4-6-11(13)14/h2,12H,1,3-10H2,(H,13,14).
What are the key properties of 5-(2-but-3-enoxyethylamino)pentanoic acid?
5-(2-but-3-enoxyethylamino)pentanoic acid has a molecular weight of 215.29 g/mol, XLogP of 1.42, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-but-3-enoxyethylamino)pentanoic acid is sourced from PubChem (CID 106402163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).