2-(1-methoxypentylideneamino)propanoic acid

C9H17NO3 — CID 86634882

IUPAC2-(1-methoxypentylideneamino)propanoic acid
SMILESCCCC/C(=N/C(C)C(=O)O)OC
InChIInChI=1S/C9H17NO3/c1-4-5-6-8(13-3)10-7(2)9(11)12/h7H,4-6H2,1-3H3,(H,11,12)/b10-8-
InChIKeyLTJBQNRYDBSQOR-NTMALXAHSA-N
MW187.24 g/mol
LogP1.69
Rot. Bonds5

About 2-(1-methoxypentylideneamino)propanoic acid

2-(1-methoxypentylideneamino)propanoic acid (PubChem CID 86634882) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 2-(1-methoxypentylideneamino)propanoic acid.

Molecular Properties

Compound Name2-(1-methoxypentylideneamino)propanoic acid
PubChem CID86634882
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name2-(1-methoxypentylideneamino)propanoic acid
SMILESCCCC/C(=N/C(C)C(=O)O)OC
InChIInChI=1S/C9H17NO3/c1-4-5-6-8(13-3)10-7(2)9(11)12/h7H,4-6H2,1-3H3,(H,11,12)/b10-8-
InChIKeyLTJBQNRYDBSQOR-NTMALXAHSA-N
XLogP1.69
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 51.69
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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Related Compounds

N-(1-methoxypentylidene)methylglycinate
CID 86634881
2-(1-Methoxypentylideneamino)acetic acid
CID 87281578
2-[(1-Methoxy-2-methylpropylidene)amino]propanoic acid
CID 87682775
2-[(1-Methoxy-3-methylbutylidene)amino]propanoic acid
CID 87684910
2-(1,5-Dihydroxypentan-3-ylideneamino)propanoic acid
CID 140900044
Ethane;4-propan-2-yliminopentanoic acid
CID 144806569

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxypentylideneamino)propanoic acid?
The IUPAC name of 2-(1-methoxypentylideneamino)propanoic acid (CID 86634882) is 2-(1-methoxypentylideneamino)propanoic acid.
What is the SMILES notation for 2-(1-methoxypentylideneamino)propanoic acid?
The canonical SMILES for 2-(1-methoxypentylideneamino)propanoic acid is CCCC/C(=N/C(C)C(=O)O)OC.
What is the InChIKey of 2-(1-methoxypentylideneamino)propanoic acid?
The InChIKey is LTJBQNRYDBSQOR-NTMALXAHSA-N. The full InChI is InChI=1S/C9H17NO3/c1-4-5-6-8(13-3)10-7(2)9(11)12/h7H,4-6H2,1-3H3,(H,11,12)/b10-8-.
What are the key properties of 2-(1-methoxypentylideneamino)propanoic acid?
2-(1-methoxypentylideneamino)propanoic acid has a molecular weight of 187.24 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxypentylideneamino)propanoic acid is sourced from PubChem (CID 86634882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).