2-[[(E)-7-hydroxyoct-4-enoyl]amino]acetic acid

C10H17NO4 — CID 131802956

IUPAC2-[[(E)-7-hydroxyoct-4-enoyl]amino]acetic acid
SMILESCC(O)C/C=C/CCC(=O)NCC(=O)O
InChIInChI=1S/C10H17NO4/c1-8(12)5-3-2-4-6-9(13)11-7-10(14)15/h2-3,8,12H,4-7H2,1H3,(H,11,13)(H,14,15)/b3-2+
InChIKeyMZHCDUJLCXEEHT-NSCUHMNNSA-N
MW215.25 g/mol
LogP0.29
Rot. Bonds7

About 2-[[(E)-7-hydroxyoct-4-enoyl]amino]acetic acid

2-[[(E)-7-hydroxyoct-4-enoyl]amino]acetic acid (PubChem CID 131802956) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is 2-[[(E)-7-hydroxyoct-4-enoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[(E)-7-hydroxyoct-4-enoyl]amino]acetic acid
PubChem CID131802956
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name2-[[(E)-7-hydroxyoct-4-enoyl]amino]acetic acid
SMILESCC(O)C/C=C/CCC(=O)NCC(=O)O
InChIInChI=1S/C10H17NO4/c1-8(12)5-3-2-4-6-9(13)11-7-10(14)15/h2-3,8,12H,4-7H2,1H3,(H,11,13)(H,14,15)/b3-2+
InChIKeyMZHCDUJLCXEEHT-NSCUHMNNSA-N
XLogP0.29
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-[[(E)-7-hydroxyoct-4-enoyl]amino]acetic acid?
The IUPAC name of 2-[[(E)-7-hydroxyoct-4-enoyl]amino]acetic acid (CID 131802956) is 2-[[(E)-7-hydroxyoct-4-enoyl]amino]acetic acid.
What is the SMILES notation for 2-[[(E)-7-hydroxyoct-4-enoyl]amino]acetic acid?
The canonical SMILES for 2-[[(E)-7-hydroxyoct-4-enoyl]amino]acetic acid is CC(O)C/C=C/CCC(=O)NCC(=O)O.
What is the InChIKey of 2-[[(E)-7-hydroxyoct-4-enoyl]amino]acetic acid?
The InChIKey is MZHCDUJLCXEEHT-NSCUHMNNSA-N. The full InChI is InChI=1S/C10H17NO4/c1-8(12)5-3-2-4-6-9(13)11-7-10(14)15/h2-3,8,12H,4-7H2,1H3,(H,11,13)(H,14,15)/b3-2+.
What are the key properties of 2-[[(E)-7-hydroxyoct-4-enoyl]amino]acetic acid?
2-[[(E)-7-hydroxyoct-4-enoyl]amino]acetic acid has a molecular weight of 215.25 g/mol, XLogP of 0.29, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-7-hydroxyoct-4-enoyl]amino]acetic acid is sourced from PubChem (CID 131802956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).