(3-methylcyclopentyl) 2-[[amino(ethoxy)methylidene]amino]propanoate

C12H22N2O3 — CID 163677161

IUPAC(3-methylcyclopentyl) 2-[[amino(ethoxy)methylidene]amino]propanoate
SMILESCCO/C(N)=N\C(C)C(=O)OC1CCC(C)C1
InChIInChI=1S/C12H22N2O3/c1-4-16-12(13)14-9(3)11(15)17-10-6-5-8(2)7-10/h8-10H,4-7H2,1-3H3,(H2,13,14)
InChIKeyJHQWMCKWLPWMFH-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.46
Rot. Bonds4

About (3-methylcyclopentyl) 2-[[amino(ethoxy)methylidene]amino]propanoate

(3-methylcyclopentyl) 2-[[amino(ethoxy)methylidene]amino]propanoate (PubChem CID 163677161) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is (3-methylcyclopentyl) 2-[[amino(ethoxy)methylidene]amino]propanoate.

Molecular Properties

Compound Name(3-methylcyclopentyl) 2-[[amino(ethoxy)methylidene]amino]propanoate
PubChem CID163677161
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name(3-methylcyclopentyl) 2-[[amino(ethoxy)methylidene]amino]propanoate
SMILESCCO/C(N)=N\C(C)C(=O)OC1CCC(C)C1
InChIInChI=1S/C12H22N2O3/c1-4-16-12(13)14-9(3)11(15)17-10-6-5-8(2)7-10/h8-10H,4-7H2,1-3H3,(H2,13,14)
InChIKeyJHQWMCKWLPWMFH-UHFFFAOYSA-N
XLogP1.46
TPSA73.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 (3-methylcyclopentyl) 2-[[amino(ethoxy)methylidene]amino]propanoate?
The IUPAC name of (3-methylcyclopentyl) 2-[[amino(ethoxy)methylidene]amino]propanoate (CID 163677161) is (3-methylcyclopentyl) 2-[[amino(ethoxy)methylidene]amino]propanoate.
What is the SMILES notation for (3-methylcyclopentyl) 2-[[amino(ethoxy)methylidene]amino]propanoate?
The canonical SMILES for (3-methylcyclopentyl) 2-[[amino(ethoxy)methylidene]amino]propanoate is CCO/C(N)=N\C(C)C(=O)OC1CCC(C)C1.
What is the InChIKey of (3-methylcyclopentyl) 2-[[amino(ethoxy)methylidene]amino]propanoate?
The InChIKey is JHQWMCKWLPWMFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-4-16-12(13)14-9(3)11(15)17-10-6-5-8(2)7-10/h8-10H,4-7H2,1-3H3,(H2,13,14).
What are the key properties of (3-methylcyclopentyl) 2-[[amino(ethoxy)methylidene]amino]propanoate?
(3-methylcyclopentyl) 2-[[amino(ethoxy)methylidene]amino]propanoate has a molecular weight of 242.32 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylcyclopentyl) 2-[[amino(ethoxy)methylidene]amino]propanoate is sourced from PubChem (CID 163677161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).