2-(1-methoxypentylideneamino)acetic acid

C8H15NO3 — CID 87281578

IUPAC2-(1-methoxypentylideneamino)acetic acid
SMILESCCCC/C(=N/CC(=O)O)OC
InChIInChI=1S/C8H15NO3/c1-3-4-5-7(12-2)9-6-8(10)11/h3-6H2,1-2H3,(H,10,11)/b9-7-
InChIKeySZNPVQZKDJVXDL-CLFYSBASSA-N
MW173.21 g/mol
LogP1.31
Rot. Bonds5

About 2-(1-methoxypentylideneamino)acetic acid

2-(1-methoxypentylideneamino)acetic acid (PubChem CID 87281578) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is 2-(1-methoxypentylideneamino)acetic acid.

Molecular Properties

Compound Name2-(1-methoxypentylideneamino)acetic acid
PubChem CID87281578
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name2-(1-methoxypentylideneamino)acetic acid
SMILESCCCC/C(=N/CC(=O)O)OC
InChIInChI=1S/C8H15NO3/c1-3-4-5-7(12-2)9-6-8(10)11/h3-6H2,1-2H3,(H,10,11)/b9-7-
InChIKeySZNPVQZKDJVXDL-CLFYSBASSA-N
XLogP1.31
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxypentylideneamino)acetic acid?
The IUPAC name of 2-(1-methoxypentylideneamino)acetic acid (CID 87281578) is 2-(1-methoxypentylideneamino)acetic acid.
What is the SMILES notation for 2-(1-methoxypentylideneamino)acetic acid?
The canonical SMILES for 2-(1-methoxypentylideneamino)acetic acid is CCCC/C(=N/CC(=O)O)OC.
What is the InChIKey of 2-(1-methoxypentylideneamino)acetic acid?
The InChIKey is SZNPVQZKDJVXDL-CLFYSBASSA-N. The full InChI is InChI=1S/C8H15NO3/c1-3-4-5-7(12-2)9-6-8(10)11/h3-6H2,1-2H3,(H,10,11)/b9-7-.
What are the key properties of 2-(1-methoxypentylideneamino)acetic acid?
2-(1-methoxypentylideneamino)acetic acid has a molecular weight of 173.21 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxypentylideneamino)acetic acid is sourced from PubChem (CID 87281578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).