butyl 4-(prop-2-enylamino)butanoate

C11H21NO2 — CID 54043239

IUPACbutyl 4-(prop-2-enylamino)butanoate
SMILESC=CCNCCCC(=O)OCCCC
InChIInChI=1S/C11H21NO2/c1-3-5-10-14-11(13)7-6-9-12-8-4-2/h4,12H,2-3,5-10H2,1H3
InChIKeyLNUQNWUKJQNPTB-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.89
Rot. Bonds9

About butyl 4-(prop-2-enylamino)butanoate

butyl 4-(prop-2-enylamino)butanoate (PubChem CID 54043239) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is butyl 4-(prop-2-enylamino)butanoate.

Molecular Properties

Compound Namebutyl 4-(prop-2-enylamino)butanoate
PubChem CID54043239
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Namebutyl 4-(prop-2-enylamino)butanoate
SMILESC=CCNCCCC(=O)OCCCC
InChIInChI=1S/C11H21NO2/c1-3-5-10-14-11(13)7-6-9-12-8-4-2/h4,12H,2-3,5-10H2,1H3
InChIKeyLNUQNWUKJQNPTB-UHFFFAOYSA-N
XLogP1.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Ethyl 3-(allylamino)butanoate
CID 61714715
Ethyl 4-(diallyl-amino)butanoate
CID 129826550
methylethyl 3-(N-prop-2-enylcarbamoyl)propanoate
CID 4996805
Ethyl 4-(ethylamino)butanoate
CID 13171987
Ethyl 4-[methyl(prop-2-enyl)amino]butanoate
CID 19426633
Ethyl 4-(prop-2-enoylamino)butanoate
CID 22081735
4-[Bis(prop-2-enyl)azaniumyl]butanoate
CID 42177333
Methyl 4-(prop-2-enylamino)butanoate
CID 43216351
Butyl 3-(prop-2-enylamino)propanoate
CID 53672465
Ethyl 4-(propylamino)butanoate
CID 53834309
Butyl 4-(butylamino)butanoate
CID 53974752
Ethyl 4-(prop-2-enylamino)butanoate
CID 54298068

Frequently Asked Questions

What is the IUPAC name of butyl 4-(prop-2-enylamino)butanoate?
The IUPAC name of butyl 4-(prop-2-enylamino)butanoate (CID 54043239) is butyl 4-(prop-2-enylamino)butanoate.
What is the SMILES notation for butyl 4-(prop-2-enylamino)butanoate?
The canonical SMILES for butyl 4-(prop-2-enylamino)butanoate is C=CCNCCCC(=O)OCCCC.
What is the InChIKey of butyl 4-(prop-2-enylamino)butanoate?
The InChIKey is LNUQNWUKJQNPTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-3-5-10-14-11(13)7-6-9-12-8-4-2/h4,12H,2-3,5-10H2,1H3.
What are the key properties of butyl 4-(prop-2-enylamino)butanoate?
butyl 4-(prop-2-enylamino)butanoate has a molecular weight of 199.29 g/mol, XLogP of 1.89, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 4-(prop-2-enylamino)butanoate is sourced from PubChem (CID 54043239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).