methyl 3-amino-2-cyclopentyloxyimino-3-iminopropanoate;hydrochloride

C9H16ClN3O3 — CID 161104805

IUPACmethyl 3-amino-2-cyclopentyloxyimino-3-iminopropanoate;hydrochloride
SMILESCl.[H]/N=C(\N)C(=NOC1CCCC1)C(=O)OC
InChIInChI=1S/C9H15N3O3.ClH/c1-14-9(13)7(8(10)11)12-15-6-4-2-3-5-6;/h6H,2-5H2,1H3,(H3,10,11);1H
InChIKeyUIXFWYKUOMMJSA-UHFFFAOYSA-N
MW249.70 g/mol
LogP0.83
Rot. Bonds4

About methyl 3-amino-2-cyclopentyloxyimino-3-iminopropanoate;hydrochloride

methyl 3-amino-2-cyclopentyloxyimino-3-iminopropanoate;hydrochloride (PubChem CID 161104805) has the molecular formula C9H16ClN3O3 and a molecular weight of 249.70 g/mol. Its IUPAC name is methyl 3-amino-2-cyclopentyloxyimino-3-iminopropanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 3-amino-2-cyclopentyloxyimino-3-iminopropanoate;hydrochloride
PubChem CID161104805
Molecular FormulaC9H16ClN3O3
Molecular Weight249.70 g/mol
Exact Mass249.09
IUPAC Namemethyl 3-amino-2-cyclopentyloxyimino-3-iminopropanoate;hydrochloride
SMILESCl.[H]/N=C(\N)C(=NOC1CCCC1)C(=O)OC
InChIInChI=1S/C9H15N3O3.ClH/c1-14-9(13)7(8(10)11)12-15-6-4-2-3-5-6;/h6H,2-5H2,1H3,(H3,10,11);1H
InChIKeyUIXFWYKUOMMJSA-UHFFFAOYSA-N
XLogP0.83
TPSA97.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.70
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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4-amino-2-(aminomethylidene)-4-imino-3-(2-methylcyclohexyl)iminobutanamide
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(E)-2-carbamimidoyl-3-(cyclopentylamino)prop-2-enamide
CID 143678400
2-cyclopropyl-2-oxoethanimidamide;hydrochloride
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methyl 3-cyclohexyloxybutanoate
CID 43612104
4-bromo-2-cyclohexyloxyimino-3-oxohexanoic acid
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methyl (2S)-2-amino-2-cyclohexylpropanoate;hydrochloride
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CID 137404848

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-2-cyclopentyloxyimino-3-iminopropanoate;hydrochloride?
The IUPAC name of methyl 3-amino-2-cyclopentyloxyimino-3-iminopropanoate;hydrochloride (CID 161104805) is methyl 3-amino-2-cyclopentyloxyimino-3-iminopropanoate;hydrochloride.
What is the SMILES notation for methyl 3-amino-2-cyclopentyloxyimino-3-iminopropanoate;hydrochloride?
The canonical SMILES for methyl 3-amino-2-cyclopentyloxyimino-3-iminopropanoate;hydrochloride is Cl.[H]/N=C(\N)C(=NOC1CCCC1)C(=O)OC.
What is the InChIKey of methyl 3-amino-2-cyclopentyloxyimino-3-iminopropanoate;hydrochloride?
The InChIKey is UIXFWYKUOMMJSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3.ClH/c1-14-9(13)7(8(10)11)12-15-6-4-2-3-5-6;/h6H,2-5H2,1H3,(H3,10,11);1H.
What are the key properties of methyl 3-amino-2-cyclopentyloxyimino-3-iminopropanoate;hydrochloride?
methyl 3-amino-2-cyclopentyloxyimino-3-iminopropanoate;hydrochloride has a molecular weight of 249.70 g/mol, XLogP of 0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-2-cyclopentyloxyimino-3-iminopropanoate;hydrochloride is sourced from PubChem (CID 161104805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).