2-(buta-2,3-dienoylamino)ethyl 2-methylprop-2-enoate

C10H13NO3 — CID 134458425

IUPAC2-(buta-2,3-dienoylamino)ethyl 2-methylprop-2-enoate
SMILESC=C=CC(=O)NCCOC(=O)C(=C)C
InChIInChI=1S/C10H13NO3/c1-4-5-9(12)11-6-7-14-10(13)8(2)3/h5H,1-2,6-7H2,3H3,(H,11,12)
InChIKeyMBDYQDHPWGBDHN-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.56
Rot. Bonds5

About 2-(buta-2,3-dienoylamino)ethyl 2-methylprop-2-enoate

2-(buta-2,3-dienoylamino)ethyl 2-methylprop-2-enoate (PubChem CID 134458425) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-(buta-2,3-dienoylamino)ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-(buta-2,3-dienoylamino)ethyl 2-methylprop-2-enoate
PubChem CID134458425
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name2-(buta-2,3-dienoylamino)ethyl 2-methylprop-2-enoate
SMILESC=C=CC(=O)NCCOC(=O)C(=C)C
InChIInChI=1S/C10H13NO3/c1-4-5-9(12)11-6-7-14-10(13)8(2)3/h5H,1-2,6-7H2,3H3,(H,11,12)
InChIKeyMBDYQDHPWGBDHN-UHFFFAOYSA-N
XLogP0.56
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.56
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

2-(carbonochloridoylamino)ethyl 2-methylprop-2-enoate
CID 18000331
2-(2,2-dimethylpropanoylamino)ethyl 2-methylprop-2-enoate
CID 90228448
2-(methoxycarbonylamino)ethyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate
CID 158290359
2-(2-methoxypropanoylamino)ethyl 2-methylprop-2-enoate
CID 89184726
2-(iodoamino)ethyl 2-methylprop-2-enoate
CID 144974054
2-(2-formyloxyethoxycarbonylamino)ethyl 2-methylprop-2-enoate
CID 89172590
2-[(4-aminobenzoyl)amino]ethyl 2-methylprop-2-enoate
CID 118056637
2-(2,2,3,3,3-pentafluoropropanoylamino)ethyl 2-methylprop-2-enoate
CID 91694697
2-[2-(propanoylamino)ethoxycarbonylamino]ethyl 2-methylprop-2-enoate
CID 167060925
3-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]propanoic acid
CID 88965929
2-[(methoxycarbonylamino)carbamoylamino]ethyl 2-methylprop-2-enoate
CID 166799947
ethene;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 173009937

Frequently Asked Questions

What is the IUPAC name of 2-(buta-2,3-dienoylamino)ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-(buta-2,3-dienoylamino)ethyl 2-methylprop-2-enoate (CID 134458425) is 2-(buta-2,3-dienoylamino)ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-(buta-2,3-dienoylamino)ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-(buta-2,3-dienoylamino)ethyl 2-methylprop-2-enoate is C=C=CC(=O)NCCOC(=O)C(=C)C.
What is the InChIKey of 2-(buta-2,3-dienoylamino)ethyl 2-methylprop-2-enoate?
The InChIKey is MBDYQDHPWGBDHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-4-5-9(12)11-6-7-14-10(13)8(2)3/h5H,1-2,6-7H2,3H3,(H,11,12).
What are the key properties of 2-(buta-2,3-dienoylamino)ethyl 2-methylprop-2-enoate?
2-(buta-2,3-dienoylamino)ethyl 2-methylprop-2-enoate has a molecular weight of 195.22 g/mol, XLogP of 0.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(buta-2,3-dienoylamino)ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 134458425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).