ethylamino 2-methylpent-2-enoate

C8H15NO2 — CID 123727023

IUPACethylamino 2-methylpent-2-enoate
SMILESCCC=C(C)C(=O)ONCC
InChIInChI=1S/C8H15NO2/c1-4-6-7(3)8(10)11-9-5-2/h6,9H,4-5H2,1-3H3
InChIKeyAYJSPWHAVXCQHV-UHFFFAOYSA-N
MW157.21 g/mol
LogP1.41
Rot. Bonds4

About ethylamino 2-methylpent-2-enoate

ethylamino 2-methylpent-2-enoate (PubChem CID 123727023) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is ethylamino 2-methylpent-2-enoate.

Molecular Properties

Compound Nameethylamino 2-methylpent-2-enoate
PubChem CID123727023
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Nameethylamino 2-methylpent-2-enoate
SMILESCCC=C(C)C(=O)ONCC
InChIInChI=1S/C8H15NO2/c1-4-6-7(3)8(10)11-9-5-2/h6,9H,4-5H2,1-3H3
InChIKeyAYJSPWHAVXCQHV-UHFFFAOYSA-N
XLogP1.41
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(carbamoylamino) 2-methylpent-2-enoate
CID 173054896
(cyclohexylamino) 2-methylpent-2-enoate
CID 174632655
3-oxobutanoyl 2-methylpent-2-eneperoxoate
CID 135203619
ethyl (E)-2-methylpent-2-enoate
CID 6436311
2-O-(ethylamino) 1-O-methyl oxalate
CID 121410359
hydroxymethyl (E)-2-methylpent-2-enoate
CID 90459718
trimethyl-[(E)-2-methylpent-2-enoyl]oxyazanium
CID 87439670
chloromethyl 2-methylpent-2-enoate
CID 174869785
hydrazinecarbonyl 2-methylpent-2-enoate
CID 173089378
2-ethoxyethyl 2-methylpent-2-eneperoxoate
CID 173004745
sulfo 2-methylpent-2-enoate
CID 173010744
carbamoyl 2-methylpent-2-eneperoxoate
CID 173435442

Frequently Asked Questions

What is the IUPAC name of ethylamino 2-methylpent-2-enoate?
The IUPAC name of ethylamino 2-methylpent-2-enoate (CID 123727023) is ethylamino 2-methylpent-2-enoate.
What is the SMILES notation for ethylamino 2-methylpent-2-enoate?
The canonical SMILES for ethylamino 2-methylpent-2-enoate is CCC=C(C)C(=O)ONCC.
What is the InChIKey of ethylamino 2-methylpent-2-enoate?
The InChIKey is AYJSPWHAVXCQHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-4-6-7(3)8(10)11-9-5-2/h6,9H,4-5H2,1-3H3.
What are the key properties of ethylamino 2-methylpent-2-enoate?
ethylamino 2-methylpent-2-enoate has a molecular weight of 157.21 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethylamino 2-methylpent-2-enoate is sourced from PubChem (CID 123727023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).