2-(2-methoxyhexylideneamino)acetic acid

C9H17NO3 — CID 90787428

IUPAC2-(2-methoxyhexylideneamino)acetic acid
SMILESCCCCC(/C=N/CC(=O)O)OC
InChIInChI=1S/C9H17NO3/c1-3-4-5-8(13-2)6-10-7-9(11)12/h6,8H,3-5,7H2,1-2H3,(H,11,12)/b10-6+
InChIKeyRSYWMRBMEIBMIC-UXBLZVDNSA-N
MW187.24 g/mol
LogP1.35
Rot. Bonds7

About 2-(2-methoxyhexylideneamino)acetic acid

2-(2-methoxyhexylideneamino)acetic acid (PubChem CID 90787428) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 2-(2-methoxyhexylideneamino)acetic acid.

Molecular Properties

Compound Name2-(2-methoxyhexylideneamino)acetic acid
PubChem CID90787428
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name2-(2-methoxyhexylideneamino)acetic acid
SMILESCCCCC(/C=N/CC(=O)O)OC
InChIInChI=1S/C9H17NO3/c1-3-4-5-8(13-2)6-10-7-9(11)12/h6,8H,3-5,7H2,1-2H3,(H,11,12)/b10-6+
InChIKeyRSYWMRBMEIBMIC-UXBLZVDNSA-N
XLogP1.35
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyhexylideneamino)acetic acid?
The IUPAC name of 2-(2-methoxyhexylideneamino)acetic acid (CID 90787428) is 2-(2-methoxyhexylideneamino)acetic acid.
What is the SMILES notation for 2-(2-methoxyhexylideneamino)acetic acid?
The canonical SMILES for 2-(2-methoxyhexylideneamino)acetic acid is CCCCC(/C=N/CC(=O)O)OC.
What is the InChIKey of 2-(2-methoxyhexylideneamino)acetic acid?
The InChIKey is RSYWMRBMEIBMIC-UXBLZVDNSA-N. The full InChI is InChI=1S/C9H17NO3/c1-3-4-5-8(13-2)6-10-7-9(11)12/h6,8H,3-5,7H2,1-2H3,(H,11,12)/b10-6+.
What are the key properties of 2-(2-methoxyhexylideneamino)acetic acid?
2-(2-methoxyhexylideneamino)acetic acid has a molecular weight of 187.24 g/mol, XLogP of 1.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyhexylideneamino)acetic acid is sourced from PubChem (CID 90787428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).