4-(methylamino)hex-5-enoic acid

C7H13NO2 — CID 118547694

IUPAC4-(methylamino)hex-5-enoic acid
SMILESC=CC(CCC(=O)O)NC
InChIInChI=1S/C7H13NO2/c1-3-6(8-2)4-5-7(9)10/h3,6,8H,1,4-5H2,2H3,(H,9,10)
InChIKeyLEOPLLLESZUFLR-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.63
Rot. Bonds5

About 4-(methylamino)hex-5-enoic acid

4-(methylamino)hex-5-enoic acid (PubChem CID 118547694) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 4-(methylamino)hex-5-enoic acid.

Molecular Properties

Compound Name4-(methylamino)hex-5-enoic acid
PubChem CID118547694
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name4-(methylamino)hex-5-enoic acid
SMILESC=CC(CCC(=O)O)NC
InChIInChI=1S/C7H13NO2/c1-3-6(8-2)4-5-7(9)10/h3,6,8H,1,4-5H2,2H3,(H,9,10)
InChIKeyLEOPLLLESZUFLR-UHFFFAOYSA-N
XLogP0.63
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.63
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 4-(methylamino)hex-5-enoic acid?
The IUPAC name of 4-(methylamino)hex-5-enoic acid (CID 118547694) is 4-(methylamino)hex-5-enoic acid.
What is the SMILES notation for 4-(methylamino)hex-5-enoic acid?
The canonical SMILES for 4-(methylamino)hex-5-enoic acid is C=CC(CCC(=O)O)NC.
What is the InChIKey of 4-(methylamino)hex-5-enoic acid?
The InChIKey is LEOPLLLESZUFLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-3-6(8-2)4-5-7(9)10/h3,6,8H,1,4-5H2,2H3,(H,9,10).
What are the key properties of 4-(methylamino)hex-5-enoic acid?
4-(methylamino)hex-5-enoic acid has a molecular weight of 143.19 g/mol, XLogP of 0.63, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)hex-5-enoic acid is sourced from PubChem (CID 118547694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).