cyclopentyl 4-[[amino(morpholin-4-yl)methylidene]amino]butanoate

C14H25N3O3 — CID 111810896

IUPACcyclopentyl 4-[[amino(morpholin-4-yl)methylidene]amino]butanoate
SMILESN/C(=N\CCCC(=O)OC1CCCC1)N1CCOCC1
InChIInChI=1S/C14H25N3O3/c15-14(17-8-10-19-11-9-17)16-7-3-6-13(18)20-12-4-1-2-5-12/h12H,1-11H2,(H2,15,16)
InChIKeyTWLWSFUSHPULQT-UHFFFAOYSA-N
MW283.37 g/mol
LogP0.90
Rot. Bonds5

About cyclopentyl 4-[[amino(morpholin-4-yl)methylidene]amino]butanoate

cyclopentyl 4-[[amino(morpholin-4-yl)methylidene]amino]butanoate (PubChem CID 111810896) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is cyclopentyl 4-[[amino(morpholin-4-yl)methylidene]amino]butanoate.

Molecular Properties

Compound Namecyclopentyl 4-[[amino(morpholin-4-yl)methylidene]amino]butanoate
PubChem CID111810896
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Namecyclopentyl 4-[[amino(morpholin-4-yl)methylidene]amino]butanoate
SMILESN/C(=N\CCCC(=O)OC1CCCC1)N1CCOCC1
InChIInChI=1S/C14H25N3O3/c15-14(17-8-10-19-11-9-17)16-7-3-6-13(18)20-12-4-1-2-5-12/h12H,1-11H2,(H2,15,16)
InChIKeyTWLWSFUSHPULQT-UHFFFAOYSA-N
XLogP0.90
TPSA77.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

propan-2-yl 4-[[amino(morpholin-4-yl)methylidene]amino]butanoate;hydroiodide
CID 110062039
methyl 7-[[amino(morpholin-4-yl)methylidene]amino]heptanoate;hydroiodide
CID 111040526
N'-(2-cyclopentyloxyethyl)morpholine-4-carboximidamide
CID 99816286
N'-(3-cyclopropylpropyl)morpholine-4-carboximidamide
CID 111816668
N'-[4-(2-methylpiperidin-1-yl)butyl]morpholine-4-carboximidamide
CID 111060059
N'-(4-pyrrolidin-1-ylbutyl)morpholine-4-carboximidamide;hydroiodide
CID 111059740
ethyl 4-[[amino(piperidin-1-yl)methylidene]amino]butanoate
CID 111025670
propan-2-yl 4-[[amino(piperidin-1-yl)methylidene]amino]butanoate;hydroiodide
CID 110062083
dicyclohexyl pentanedioate
CID 15593941
ethyl 4-[[amino-(3-methylpiperidin-1-yl)methylidene]amino]butanoate;hydroiodide
CID 111025639
methyl 7-[[amino(piperidin-1-yl)methylidene]amino]heptanoate;hydroiodide
CID 111040598
N'-[2-(oxan-2-yl)ethyl]morpholine-4-carboximidamide;hydroiodide
CID 110018757

Frequently Asked Questions

What is the IUPAC name of cyclopentyl 4-[[amino(morpholin-4-yl)methylidene]amino]butanoate?
The IUPAC name of cyclopentyl 4-[[amino(morpholin-4-yl)methylidene]amino]butanoate (CID 111810896) is cyclopentyl 4-[[amino(morpholin-4-yl)methylidene]amino]butanoate.
What is the SMILES notation for cyclopentyl 4-[[amino(morpholin-4-yl)methylidene]amino]butanoate?
The canonical SMILES for cyclopentyl 4-[[amino(morpholin-4-yl)methylidene]amino]butanoate is N/C(=N\CCCC(=O)OC1CCCC1)N1CCOCC1.
What is the InChIKey of cyclopentyl 4-[[amino(morpholin-4-yl)methylidene]amino]butanoate?
The InChIKey is TWLWSFUSHPULQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c15-14(17-8-10-19-11-9-17)16-7-3-6-13(18)20-12-4-1-2-5-12/h12H,1-11H2,(H2,15,16).
What are the key properties of cyclopentyl 4-[[amino(morpholin-4-yl)methylidene]amino]butanoate?
cyclopentyl 4-[[amino(morpholin-4-yl)methylidene]amino]butanoate has a molecular weight of 283.37 g/mol, XLogP of 0.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl 4-[[amino(morpholin-4-yl)methylidene]amino]butanoate is sourced from PubChem (CID 111810896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).