2-amino-3-pent-4-enoxypropanoic acid

C8H15NO3 — CID 79114694

IUPAC2-amino-3-pent-4-enoxypropanoic acid
SMILESC=CCCCOCC(N)C(=O)O
InChIInChI=1S/C8H15NO3/c1-2-3-4-5-12-6-7(9)8(10)11/h2,7H,1,3-6,9H2,(H,10,11)
InChIKeyNOJLQTHILHAHLS-UHFFFAOYSA-N
MW173.21 g/mol
LogP0.38
Rot. Bonds7

About 2-amino-3-pent-4-enoxypropanoic acid

2-amino-3-pent-4-enoxypropanoic acid (PubChem CID 79114694) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is 2-amino-3-pent-4-enoxypropanoic acid.

Molecular Properties

Compound Name2-amino-3-pent-4-enoxypropanoic acid
PubChem CID79114694
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name2-amino-3-pent-4-enoxypropanoic acid
SMILESC=CCCCOCC(N)C(=O)O
InChIInChI=1S/C8H15NO3/c1-2-3-4-5-12-6-7(9)8(10)11/h2,7H,1,3-6,9H2,(H,10,11)
InChIKeyNOJLQTHILHAHLS-UHFFFAOYSA-N
XLogP0.38
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.38
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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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-pent-4-enoxypropanoic acid?
The IUPAC name of 2-amino-3-pent-4-enoxypropanoic acid (CID 79114694) is 2-amino-3-pent-4-enoxypropanoic acid.
What is the SMILES notation for 2-amino-3-pent-4-enoxypropanoic acid?
The canonical SMILES for 2-amino-3-pent-4-enoxypropanoic acid is C=CCCCOCC(N)C(=O)O.
What is the InChIKey of 2-amino-3-pent-4-enoxypropanoic acid?
The InChIKey is NOJLQTHILHAHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-2-3-4-5-12-6-7(9)8(10)11/h2,7H,1,3-6,9H2,(H,10,11).
What are the key properties of 2-amino-3-pent-4-enoxypropanoic acid?
2-amino-3-pent-4-enoxypropanoic acid has a molecular weight of 173.21 g/mol, XLogP of 0.38, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-pent-4-enoxypropanoic acid is sourced from PubChem (CID 79114694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).