methyl 4-(cyclopentyloxyamino)-2-methylbut-2-enoate

C11H19NO3 — CID 103262142

IUPACmethyl 4-(cyclopentyloxyamino)-2-methylbut-2-enoate
SMILESCOC(=O)C(C)=CCNOC1CCCC1
InChIInChI=1S/C11H19NO3/c1-9(11(13)14-2)7-8-12-15-10-5-3-4-6-10/h7,10,12H,3-6,8H2,1-2H3
InChIKeyDKVWMXSNGWBFPS-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.57
Rot. Bonds5

About methyl 4-(cyclopentyloxyamino)-2-methylbut-2-enoate

methyl 4-(cyclopentyloxyamino)-2-methylbut-2-enoate (PubChem CID 103262142) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is methyl 4-(cyclopentyloxyamino)-2-methylbut-2-enoate.

Molecular Properties

Compound Namemethyl 4-(cyclopentyloxyamino)-2-methylbut-2-enoate
PubChem CID103262142
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Namemethyl 4-(cyclopentyloxyamino)-2-methylbut-2-enoate
SMILESCOC(=O)C(C)=CCNOC1CCCC1
InChIInChI=1S/C11H19NO3/c1-9(11(13)14-2)7-8-12-15-10-5-3-4-6-10/h7,10,12H,3-6,8H2,1-2H3
InChIKeyDKVWMXSNGWBFPS-UHFFFAOYSA-N
XLogP1.57
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(cyclopentyloxyamino)-2-methylbut-2-enoate?
The IUPAC name of methyl 4-(cyclopentyloxyamino)-2-methylbut-2-enoate (CID 103262142) is methyl 4-(cyclopentyloxyamino)-2-methylbut-2-enoate.
What is the SMILES notation for methyl 4-(cyclopentyloxyamino)-2-methylbut-2-enoate?
The canonical SMILES for methyl 4-(cyclopentyloxyamino)-2-methylbut-2-enoate is COC(=O)C(C)=CCNOC1CCCC1.
What is the InChIKey of methyl 4-(cyclopentyloxyamino)-2-methylbut-2-enoate?
The InChIKey is DKVWMXSNGWBFPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-9(11(13)14-2)7-8-12-15-10-5-3-4-6-10/h7,10,12H,3-6,8H2,1-2H3.
What are the key properties of methyl 4-(cyclopentyloxyamino)-2-methylbut-2-enoate?
methyl 4-(cyclopentyloxyamino)-2-methylbut-2-enoate has a molecular weight of 213.28 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(cyclopentyloxyamino)-2-methylbut-2-enoate is sourced from PubChem (CID 103262142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).