2-[[3-oxo-3-[2-(2-prop-2-enoyloxyethyl)hydrazinyl]propyl]amino]ethyl prop-2-enoate

C13H21N3O5 — CID 23453492

IUPAC2-[[3-oxo-3-[2-(2-prop-2-enoyloxyethyl)hydrazinyl]propyl]amino]ethyl prop-2-enoate
SMILESC=CC(=O)OCCNCCC(=O)NNCCOC(=O)C=C
InChIInChI=1S/C13H21N3O5/c1-3-12(18)20-9-7-14-6-5-11(17)16-15-8-10-21-13(19)4-2/h3-4,14-15H,1-2,5-10H2,(H,16,17)
InChIKeyAGEWABSRKNEQAC-UHFFFAOYSA-N
MW299.33 g/mol
LogP-0.95
Rot. Bonds12

About 2-[[3-oxo-3-[2-(2-prop-2-enoyloxyethyl)hydrazinyl]propyl]amino]ethyl prop-2-enoate

2-[[3-oxo-3-[2-(2-prop-2-enoyloxyethyl)hydrazinyl]propyl]amino]ethyl prop-2-enoate (PubChem CID 23453492) has the molecular formula C13H21N3O5 and a molecular weight of 299.33 g/mol. Its IUPAC name is 2-[[3-oxo-3-[2-(2-prop-2-enoyloxyethyl)hydrazinyl]propyl]amino]ethyl prop-2-enoate.

Molecular Properties

Compound Name2-[[3-oxo-3-[2-(2-prop-2-enoyloxyethyl)hydrazinyl]propyl]amino]ethyl prop-2-enoate
PubChem CID23453492
Molecular FormulaC13H21N3O5
Molecular Weight299.33 g/mol
Exact Mass299.15
IUPAC Name2-[[3-oxo-3-[2-(2-prop-2-enoyloxyethyl)hydrazinyl]propyl]amino]ethyl prop-2-enoate
SMILESC=CC(=O)OCCNCCC(=O)NNCCOC(=O)C=C
InChIInChI=1S/C13H21N3O5/c1-3-12(18)20-9-7-14-6-5-11(17)16-15-8-10-21-13(19)4-2/h3-4,14-15H,1-2,5-10H2,(H,16,17)
InChIKeyAGEWABSRKNEQAC-UHFFFAOYSA-N
XLogP-0.95
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 5-0.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(nona-3,7-dienylamino)ethyl prop-2-enoate
CID 173005917
2-prop-2-enoyloxyethyl prop-2-enoate;zinc
CID 88622091
2-formamidoethyl prop-2-enoate
CID 18401312
2-(tridecylamino)ethyl prop-2-enoate
CID 141468520
(2-prop-2-enoyloxyethylamino)methanesulfonic acid
CID 150122074
2-(3-methylbut-2-enylamino)ethyl prop-2-enoate
CID 140524543
N-(2-prop-2-enoyloxyethyl)carbamate
CID 20502002
2-acetamidoethyl prop-2-enoate
CID 23089005
2-acetamidoethyl prop-2-enoate;ethane
CID 158515563
lithium N-(2-prop-2-enoyloxyethyl)carbamate
CID 140879488
methyl 3-prop-2-enoyloxypropanoate
CID 14496497
2-(ethylsulfanylcarbonylamino)ethyl prop-2-enoate
CID 148821363

Frequently Asked Questions

What is the IUPAC name of 2-[[3-oxo-3-[2-(2-prop-2-enoyloxyethyl)hydrazinyl]propyl]amino]ethyl prop-2-enoate?
The IUPAC name of 2-[[3-oxo-3-[2-(2-prop-2-enoyloxyethyl)hydrazinyl]propyl]amino]ethyl prop-2-enoate (CID 23453492) is 2-[[3-oxo-3-[2-(2-prop-2-enoyloxyethyl)hydrazinyl]propyl]amino]ethyl prop-2-enoate.
What is the SMILES notation for 2-[[3-oxo-3-[2-(2-prop-2-enoyloxyethyl)hydrazinyl]propyl]amino]ethyl prop-2-enoate?
The canonical SMILES for 2-[[3-oxo-3-[2-(2-prop-2-enoyloxyethyl)hydrazinyl]propyl]amino]ethyl prop-2-enoate is C=CC(=O)OCCNCCC(=O)NNCCOC(=O)C=C.
What is the InChIKey of 2-[[3-oxo-3-[2-(2-prop-2-enoyloxyethyl)hydrazinyl]propyl]amino]ethyl prop-2-enoate?
The InChIKey is AGEWABSRKNEQAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O5/c1-3-12(18)20-9-7-14-6-5-11(17)16-15-8-10-21-13(19)4-2/h3-4,14-15H,1-2,5-10H2,(H,16,17).
What are the key properties of 2-[[3-oxo-3-[2-(2-prop-2-enoyloxyethyl)hydrazinyl]propyl]amino]ethyl prop-2-enoate?
2-[[3-oxo-3-[2-(2-prop-2-enoyloxyethyl)hydrazinyl]propyl]amino]ethyl prop-2-enoate has a molecular weight of 299.33 g/mol, XLogP of -0.95, 12 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-oxo-3-[2-(2-prop-2-enoyloxyethyl)hydrazinyl]propyl]amino]ethyl prop-2-enoate is sourced from PubChem (CID 23453492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).