2-formamido-6-methoxyhexanoic acid

C8H15NO4 — CID 104647734

IUPAC2-formamido-6-methoxyhexanoic acid
SMILESCOCCCCC(NC=O)C(=O)O
InChIInChI=1S/C8H15NO4/c1-13-5-3-2-4-7(8(11)12)9-6-10/h6-7H,2-5H2,1H3,(H,9,10)(H,11,12)
InChIKeyVCLQNOGUKMWASJ-UHFFFAOYSA-N
MW189.21 g/mol
LogP0.00
Rot. Bonds8

About 2-formamido-6-methoxyhexanoic acid

2-formamido-6-methoxyhexanoic acid (PubChem CID 104647734) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is 2-formamido-6-methoxyhexanoic acid.

Molecular Properties

Compound Name2-formamido-6-methoxyhexanoic acid
PubChem CID104647734
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC Name2-formamido-6-methoxyhexanoic acid
SMILESCOCCCCC(NC=O)C(=O)O
InChIInChI=1S/C8H15NO4/c1-13-5-3-2-4-7(8(11)12)9-6-10/h6-7H,2-5H2,1H3,(H,9,10)(H,11,12)
InChIKeyVCLQNOGUKMWASJ-UHFFFAOYSA-N
XLogP0.00
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-formamido-6-methoxyhexanoic acid?
The IUPAC name of 2-formamido-6-methoxyhexanoic acid (CID 104647734) is 2-formamido-6-methoxyhexanoic acid.
What is the SMILES notation for 2-formamido-6-methoxyhexanoic acid?
The canonical SMILES for 2-formamido-6-methoxyhexanoic acid is COCCCCC(NC=O)C(=O)O.
What is the InChIKey of 2-formamido-6-methoxyhexanoic acid?
The InChIKey is VCLQNOGUKMWASJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4/c1-13-5-3-2-4-7(8(11)12)9-6-10/h6-7H,2-5H2,1H3,(H,9,10)(H,11,12).
What are the key properties of 2-formamido-6-methoxyhexanoic acid?
2-formamido-6-methoxyhexanoic acid has a molecular weight of 189.21 g/mol, XLogP of 0.00, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-formamido-6-methoxyhexanoic acid is sourced from PubChem (CID 104647734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).