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

C10H17NO3 — CID 131802983

IUPAC2-[[(E)-oct-4-enoyl]amino]acetic acid
SMILESCCC/C=C/CCC(=O)NCC(=O)O
InChIInChI=1S/C10H17NO3/c1-2-3-4-5-6-7-9(12)11-8-10(13)14/h4-5H,2-3,6-8H2,1H3,(H,11,12)(H,13,14)/b5-4+
InChIKeyMCGXHOZUYMVMBX-SNAWJCMRSA-N
MW199.25 g/mol
LogP1.32
Rot. Bonds7

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

2-[[(E)-oct-4-enoyl]amino]acetic acid (PubChem CID 131802983) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 2-[[(E)-oct-4-enoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[(E)-oct-4-enoyl]amino]acetic acid
PubChem CID131802983
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name2-[[(E)-oct-4-enoyl]amino]acetic acid
SMILESCCC/C=C/CCC(=O)NCC(=O)O
InChIInChI=1S/C10H17NO3/c1-2-3-4-5-6-7-9(12)11-8-10(13)14/h4-5H,2-3,6-8H2,1H3,(H,11,12)(H,13,14)/b5-4+
InChIKeyMCGXHOZUYMVMBX-SNAWJCMRSA-N
XLogP1.32
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.32
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-[[(E)-oct-4-enoyl]amino]acetic acid?
The IUPAC name of 2-[[(E)-oct-4-enoyl]amino]acetic acid (CID 131802983) is 2-[[(E)-oct-4-enoyl]amino]acetic acid.
What is the SMILES notation for 2-[[(E)-oct-4-enoyl]amino]acetic acid?
The canonical SMILES for 2-[[(E)-oct-4-enoyl]amino]acetic acid is CCC/C=C/CCC(=O)NCC(=O)O.
What is the InChIKey of 2-[[(E)-oct-4-enoyl]amino]acetic acid?
The InChIKey is MCGXHOZUYMVMBX-SNAWJCMRSA-N. The full InChI is InChI=1S/C10H17NO3/c1-2-3-4-5-6-7-9(12)11-8-10(13)14/h4-5H,2-3,6-8H2,1H3,(H,11,12)(H,13,14)/b5-4+.
What are the key properties of 2-[[(E)-oct-4-enoyl]amino]acetic acid?
2-[[(E)-oct-4-enoyl]amino]acetic acid has a molecular weight of 199.25 g/mol, XLogP of 1.32, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-oct-4-enoyl]amino]acetic acid is sourced from PubChem (CID 131802983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).