butyl 4-(prop-2-enoylamino)butanoate

C11H19NO3 — CID 170269473

IUPACbutyl 4-(prop-2-enoylamino)butanoate
SMILESC=CC(=O)NCCCC(=O)OCCCC
InChIInChI=1S/C11H19NO3/c1-3-5-9-15-11(14)7-6-8-12-10(13)4-2/h4H,2-3,5-9H2,1H3,(H,12,13)
InChIKeyUSJUDQHZUCGSNH-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.41
Rot. Bonds8

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

butyl 4-(prop-2-enoylamino)butanoate (PubChem CID 170269473) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is butyl 4-(prop-2-enoylamino)butanoate.

Molecular Properties

Compound Namebutyl 4-(prop-2-enoylamino)butanoate
PubChem CID170269473
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Namebutyl 4-(prop-2-enoylamino)butanoate
SMILESC=CC(=O)NCCCC(=O)OCCCC
InChIInChI=1S/C11H19NO3/c1-3-5-9-15-11(14)7-6-8-12-10(13)4-2/h4H,2-3,5-9H2,1H3,(H,12,13)
InChIKeyUSJUDQHZUCGSNH-UHFFFAOYSA-N
XLogP1.41
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.41
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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Related Compounds

hexyl 4-(prop-2-enoylamino)butanoate
CID 170269478
hexadecyl 3-(prop-2-enoylamino)propanoate
CID 91712853
dodecyl 3-(prop-2-enoylamino)propanoate
CID 91739006
N-butylprop-2-enamide;hydrofluoride
CID 174533496
N-heptadecylprop-2-enamide
CID 20727742
(2-hexadecoxy-2-oxoethyl)-dimethyl-[2-(prop-2-enoylamino)ethyl]azanium
CID 100914638
3-(prop-2-enoylamino)propyl 2-methylpropanoate
CID 147188833
dibutyl heptadecanedioate
CID 87117348
[4-(octylamino)-4-oxobutyl] octadecanoate
CID 153438746
N-butylprop-2-enamide;N-ethylethanamine
CID 22596658
carbonic acid;N-hexylprop-2-enamide
CID 22445987
butyl 6-[6-(6-aminohexanoylamino)hexanoylamino]hexanoate
CID 11258474

Frequently Asked Questions

What is the IUPAC name of butyl 4-(prop-2-enoylamino)butanoate?
The IUPAC name of butyl 4-(prop-2-enoylamino)butanoate (CID 170269473) is butyl 4-(prop-2-enoylamino)butanoate.
What is the SMILES notation for butyl 4-(prop-2-enoylamino)butanoate?
The canonical SMILES for butyl 4-(prop-2-enoylamino)butanoate is C=CC(=O)NCCCC(=O)OCCCC.
What is the InChIKey of butyl 4-(prop-2-enoylamino)butanoate?
The InChIKey is USJUDQHZUCGSNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-3-5-9-15-11(14)7-6-8-12-10(13)4-2/h4H,2-3,5-9H2,1H3,(H,12,13).
What are the key properties of butyl 4-(prop-2-enoylamino)butanoate?
butyl 4-(prop-2-enoylamino)butanoate has a molecular weight of 213.28 g/mol, XLogP of 1.41, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 4-(prop-2-enoylamino)butanoate is sourced from PubChem (CID 170269473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).