ethyl (Z)-3-(butylamino)but-2-enoate

C10H19NO2 — CID 11788689

IUPACethyl (Z)-3-(butylamino)but-2-enoate
SMILESCCCCN/C(C)=C\C(=O)OCC
InChIInChI=1S/C10H19NO2/c1-4-6-7-11-9(3)8-10(12)13-5-2/h8,11H,4-7H2,1-3H3/b9-8-
InChIKeyIFKSUXQHAOSFCH-HJWRWDBZSA-N
MW185.27 g/mol
LogP1.84
Rot. Bonds6

About ethyl (Z)-3-(butylamino)but-2-enoate

ethyl (Z)-3-(butylamino)but-2-enoate (PubChem CID 11788689) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is ethyl (Z)-3-(butylamino)but-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-3-(butylamino)but-2-enoate
PubChem CID11788689
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Nameethyl (Z)-3-(butylamino)but-2-enoate
SMILESCCCCN/C(C)=C\C(=O)OCC
InChIInChI=1S/C10H19NO2/c1-4-6-7-11-9(3)8-10(12)13-5-2/h8,11H,4-7H2,1-3H3/b9-8-
InChIKeyIFKSUXQHAOSFCH-HJWRWDBZSA-N
XLogP1.84
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-3-(butylamino)but-2-enoate?
The IUPAC name of ethyl (Z)-3-(butylamino)but-2-enoate (CID 11788689) is ethyl (Z)-3-(butylamino)but-2-enoate.
What is the SMILES notation for ethyl (Z)-3-(butylamino)but-2-enoate?
The canonical SMILES for ethyl (Z)-3-(butylamino)but-2-enoate is CCCCN/C(C)=C\C(=O)OCC.
What is the InChIKey of ethyl (Z)-3-(butylamino)but-2-enoate?
The InChIKey is IFKSUXQHAOSFCH-HJWRWDBZSA-N. The full InChI is InChI=1S/C10H19NO2/c1-4-6-7-11-9(3)8-10(12)13-5-2/h8,11H,4-7H2,1-3H3/b9-8-.
What are the key properties of ethyl (Z)-3-(butylamino)but-2-enoate?
ethyl (Z)-3-(butylamino)but-2-enoate has a molecular weight of 185.27 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-3-(butylamino)but-2-enoate is sourced from PubChem (CID 11788689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).