2-(2-methylprop-2-enoylamino)ethyl butanoate

C10H17NO3 — CID 135363148

IUPAC2-(2-methylprop-2-enoylamino)ethyl butanoate
SMILESC=C(C)C(=O)NCCOC(=O)CCC
InChIInChI=1S/C10H17NO3/c1-4-5-9(12)14-7-6-11-10(13)8(2)3/h2,4-7H2,1,3H3,(H,11,13)
InChIKeyICPGINZNNHNDDR-UHFFFAOYSA-N
MW199.25 g/mol
LogP1.02
Rot. Bonds6

About 2-(2-methylprop-2-enoylamino)ethyl butanoate

2-(2-methylprop-2-enoylamino)ethyl butanoate (PubChem CID 135363148) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 2-(2-methylprop-2-enoylamino)ethyl butanoate.

Molecular Properties

Compound Name2-(2-methylprop-2-enoylamino)ethyl butanoate
PubChem CID135363148
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name2-(2-methylprop-2-enoylamino)ethyl butanoate
SMILESC=C(C)C(=O)NCCOC(=O)CCC
InChIInChI=1S/C10H17NO3/c1-4-5-9(12)14-7-6-11-10(13)8(2)3/h2,4-7H2,1,3H3,(H,11,13)
InChIKeyICPGINZNNHNDDR-UHFFFAOYSA-N
XLogP1.02
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.02
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 2-(2-methylprop-2-enoylamino)ethyl butanoate?
The IUPAC name of 2-(2-methylprop-2-enoylamino)ethyl butanoate (CID 135363148) is 2-(2-methylprop-2-enoylamino)ethyl butanoate.
What is the SMILES notation for 2-(2-methylprop-2-enoylamino)ethyl butanoate?
The canonical SMILES for 2-(2-methylprop-2-enoylamino)ethyl butanoate is C=C(C)C(=O)NCCOC(=O)CCC.
What is the InChIKey of 2-(2-methylprop-2-enoylamino)ethyl butanoate?
The InChIKey is ICPGINZNNHNDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-4-5-9(12)14-7-6-11-10(13)8(2)3/h2,4-7H2,1,3H3,(H,11,13).
What are the key properties of 2-(2-methylprop-2-enoylamino)ethyl butanoate?
2-(2-methylprop-2-enoylamino)ethyl butanoate has a molecular weight of 199.25 g/mol, XLogP of 1.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylprop-2-enoylamino)ethyl butanoate is sourced from PubChem (CID 135363148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).