2-[[cyclohexyl(methoxy)methylidene]amino]propanoic acid

C11H19NO3 — CID 69082077

IUPAC2-[[cyclohexyl(methoxy)methylidene]amino]propanoic acid
SMILESCO/C(=N\C(C)C(=O)O)C1CCCCC1
InChIInChI=1S/C11H19NO3/c1-8(11(13)14)12-10(15-2)9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3,(H,13,14)/b12-10-
InChIKeyDWYLWNCHSWEHHN-BENRWUELSA-N
MW213.28 g/mol
LogP2.08
Rot. Bonds3

About 2-[[cyclohexyl(methoxy)methylidene]amino]propanoic acid

2-[[cyclohexyl(methoxy)methylidene]amino]propanoic acid (PubChem CID 69082077) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-[[cyclohexyl(methoxy)methylidene]amino]propanoic acid.

Molecular Properties

Compound Name2-[[cyclohexyl(methoxy)methylidene]amino]propanoic acid
PubChem CID69082077
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name2-[[cyclohexyl(methoxy)methylidene]amino]propanoic acid
SMILESCO/C(=N\C(C)C(=O)O)C1CCCCC1
InChIInChI=1S/C11H19NO3/c1-8(11(13)14)12-10(15-2)9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3,(H,13,14)/b12-10-
InChIKeyDWYLWNCHSWEHHN-BENRWUELSA-N
XLogP2.08
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.08
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-[[cyclohexyl(methoxy)methylidene]amino]propanoic acid?
The IUPAC name of 2-[[cyclohexyl(methoxy)methylidene]amino]propanoic acid (CID 69082077) is 2-[[cyclohexyl(methoxy)methylidene]amino]propanoic acid.
What is the SMILES notation for 2-[[cyclohexyl(methoxy)methylidene]amino]propanoic acid?
The canonical SMILES for 2-[[cyclohexyl(methoxy)methylidene]amino]propanoic acid is CO/C(=N\C(C)C(=O)O)C1CCCCC1.
What is the InChIKey of 2-[[cyclohexyl(methoxy)methylidene]amino]propanoic acid?
The InChIKey is DWYLWNCHSWEHHN-BENRWUELSA-N. The full InChI is InChI=1S/C11H19NO3/c1-8(11(13)14)12-10(15-2)9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3,(H,13,14)/b12-10-.
What are the key properties of 2-[[cyclohexyl(methoxy)methylidene]amino]propanoic acid?
2-[[cyclohexyl(methoxy)methylidene]amino]propanoic acid has a molecular weight of 213.28 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclohexyl(methoxy)methylidene]amino]propanoic acid is sourced from PubChem (CID 69082077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).