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

C10H17NO3 — CID 67131644

IUPAC2-[[cyclohexyl(methoxy)methylidene]amino]acetic acid
SMILESCO/C(=N\CC(=O)O)C1CCCCC1
InChIInChI=1S/C10H17NO3/c1-14-10(11-7-9(12)13)8-5-3-2-4-6-8/h8H,2-7H2,1H3,(H,12,13)/b11-10-
InChIKeyMHWVXPPUOJURDZ-KHPPLWFESA-N
MW199.25 g/mol
LogP1.70
Rot. Bonds3

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

2-[[cyclohexyl(methoxy)methylidene]amino]acetic acid (PubChem CID 67131644) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 2-[[cyclohexyl(methoxy)methylidene]amino]acetic acid.

Molecular Properties

Compound Name2-[[cyclohexyl(methoxy)methylidene]amino]acetic acid
PubChem CID67131644
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name2-[[cyclohexyl(methoxy)methylidene]amino]acetic acid
SMILESCO/C(=N\CC(=O)O)C1CCCCC1
InChIInChI=1S/C10H17NO3/c1-14-10(11-7-9(12)13)8-5-3-2-4-6-8/h8H,2-7H2,1H3,(H,12,13)/b11-10-
InChIKeyMHWVXPPUOJURDZ-KHPPLWFESA-N
XLogP1.70
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.70
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]acetic acid?
The IUPAC name of 2-[[cyclohexyl(methoxy)methylidene]amino]acetic acid (CID 67131644) is 2-[[cyclohexyl(methoxy)methylidene]amino]acetic acid.
What is the SMILES notation for 2-[[cyclohexyl(methoxy)methylidene]amino]acetic acid?
The canonical SMILES for 2-[[cyclohexyl(methoxy)methylidene]amino]acetic acid is CO/C(=N\CC(=O)O)C1CCCCC1.
What is the InChIKey of 2-[[cyclohexyl(methoxy)methylidene]amino]acetic acid?
The InChIKey is MHWVXPPUOJURDZ-KHPPLWFESA-N. The full InChI is InChI=1S/C10H17NO3/c1-14-10(11-7-9(12)13)8-5-3-2-4-6-8/h8H,2-7H2,1H3,(H,12,13)/b11-10-.
What are the key properties of 2-[[cyclohexyl(methoxy)methylidene]amino]acetic acid?
2-[[cyclohexyl(methoxy)methylidene]amino]acetic acid has a molecular weight of 199.25 g/mol, XLogP of 1.70, 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]acetic acid is sourced from PubChem (CID 67131644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).