2-(3-aminopropyl)pent-4-enoic acid

C8H15NO2 — CID 11205911

IUPAC2-(3-aminopropyl)pent-4-enoic acid
SMILESC=CCC(CCCN)C(=O)O
InChIInChI=1S/C8H15NO2/c1-2-4-7(8(10)11)5-3-6-9/h2,7H,1,3-6,9H2,(H,10,11)
InChIKeySGAFXMLLMCGFOO-UHFFFAOYSA-N
MW157.21 g/mol
LogP1.00
Rot. Bonds6

About 2-(3-aminopropyl)pent-4-enoic acid

2-(3-aminopropyl)pent-4-enoic acid (PubChem CID 11205911) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 2-(3-aminopropyl)pent-4-enoic acid.

Molecular Properties

Compound Name2-(3-aminopropyl)pent-4-enoic acid
PubChem CID11205911
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name2-(3-aminopropyl)pent-4-enoic acid
SMILESC=CCC(CCCN)C(=O)O
InChIInChI=1S/C8H15NO2/c1-2-4-7(8(10)11)5-3-6-9/h2,7H,1,3-6,9H2,(H,10,11)
InChIKeySGAFXMLLMCGFOO-UHFFFAOYSA-N
XLogP1.00
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropyl)pent-4-enoic acid?
The IUPAC name of 2-(3-aminopropyl)pent-4-enoic acid (CID 11205911) is 2-(3-aminopropyl)pent-4-enoic acid.
What is the SMILES notation for 2-(3-aminopropyl)pent-4-enoic acid?
The canonical SMILES for 2-(3-aminopropyl)pent-4-enoic acid is C=CCC(CCCN)C(=O)O.
What is the InChIKey of 2-(3-aminopropyl)pent-4-enoic acid?
The InChIKey is SGAFXMLLMCGFOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-2-4-7(8(10)11)5-3-6-9/h2,7H,1,3-6,9H2,(H,10,11).
What are the key properties of 2-(3-aminopropyl)pent-4-enoic acid?
2-(3-aminopropyl)pent-4-enoic acid has a molecular weight of 157.21 g/mol, XLogP of 1.00, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropyl)pent-4-enoic acid is sourced from PubChem (CID 11205911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).