ethenyl 4-(butylamino)butanoate

C10H19NO2 — CID 87552955

IUPACethenyl 4-(butylamino)butanoate
SMILESC=COC(=O)CCCNCCCC
InChIInChI=1S/C10H19NO2/c1-3-5-8-11-9-6-7-10(12)13-4-2/h4,11H,2-3,5-9H2,1H3
InChIKeyATHQPZVKSSLIBE-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.84
Rot. Bonds8

About ethenyl 4-(butylamino)butanoate

ethenyl 4-(butylamino)butanoate (PubChem CID 87552955) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is ethenyl 4-(butylamino)butanoate.

Molecular Properties

Compound Nameethenyl 4-(butylamino)butanoate
PubChem CID87552955
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Nameethenyl 4-(butylamino)butanoate
SMILESC=COC(=O)CCCNCCCC
InChIInChI=1S/C10H19NO2/c1-3-5-8-11-9-6-7-10(12)13-4-2/h4,11H,2-3,5-9H2,1H3
InChIKeyATHQPZVKSSLIBE-UHFFFAOYSA-N
XLogP1.84
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
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': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Methyl 4-(diethylamino)butanoate--hydrogen bromide (1/1)
CID 44909
Methyl 4-(ethylamino)butanoate hydrochloride
CID 118798526
4-(3-Methoxycarbonyl-propylamino)-butyric acid methyl ester
CID 54310204
Methyl 4-(ethylamino)butanoate
CID 43216361
Ethyl 4-[(4-ethoxy-4-oxobutyl)amino]butanoate
CID 263044
Ethyl 4-(2-fluoroethylamino)butanoate
CID 80695531
Ethyl 4-(3-fluoropropylamino)butanoate
CID 81106082
Methyl 4-[(propan-2-yl)amino]butanoate
CID 429044
Ethyl 4-(ethylamino)butanoate
CID 13171987
Ethyl 4-[(propan-2-yl)amino]butanoate
CID 20811747
Methyl 4-(prop-2-enylamino)butanoate
CID 43216351
Methyl 4-(butylamino)butanoate
CID 43216352

Frequently Asked Questions

What is the IUPAC name of ethenyl 4-(butylamino)butanoate?
The IUPAC name of ethenyl 4-(butylamino)butanoate (CID 87552955) is ethenyl 4-(butylamino)butanoate.
What is the SMILES notation for ethenyl 4-(butylamino)butanoate?
The canonical SMILES for ethenyl 4-(butylamino)butanoate is C=COC(=O)CCCNCCCC.
What is the InChIKey of ethenyl 4-(butylamino)butanoate?
The InChIKey is ATHQPZVKSSLIBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-3-5-8-11-9-6-7-10(12)13-4-2/h4,11H,2-3,5-9H2,1H3.
What are the key properties of ethenyl 4-(butylamino)butanoate?
ethenyl 4-(butylamino)butanoate has a molecular weight of 185.27 g/mol, XLogP of 1.84, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl 4-(butylamino)butanoate is sourced from PubChem (CID 87552955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).