diethylamino 3-ethyl-5-hydroxy-2-methylpent-2-enoate

C12H23NO3 — CID 57180067

IUPACdiethylamino 3-ethyl-5-hydroxy-2-methylpent-2-enoate
SMILESCCC(CCO)=C(C)C(=O)ON(CC)CC
InChIInChI=1S/C12H23NO3/c1-5-11(8-9-14)10(4)12(15)16-13(6-2)7-3/h14H,5-9H2,1-4H3
InChIKeyVRNASFCJRUUGNQ-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.90
Rot. Bonds7

About diethylamino 3-ethyl-5-hydroxy-2-methylpent-2-enoate

diethylamino 3-ethyl-5-hydroxy-2-methylpent-2-enoate (PubChem CID 57180067) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is diethylamino 3-ethyl-5-hydroxy-2-methylpent-2-enoate.

Molecular Properties

Compound Namediethylamino 3-ethyl-5-hydroxy-2-methylpent-2-enoate
PubChem CID57180067
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Namediethylamino 3-ethyl-5-hydroxy-2-methylpent-2-enoate
SMILESCCC(CCO)=C(C)C(=O)ON(CC)CC
InChIInChI=1S/C12H23NO3/c1-5-11(8-9-14)10(4)12(15)16-13(6-2)7-3/h14H,5-9H2,1-4H3
InChIKeyVRNASFCJRUUGNQ-UHFFFAOYSA-N
XLogP1.90
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

diethylamino 2-amino-2-oxoacetate
CID 123923586
diethylamino 2-acetylbut-2-enoate
CID 174392869
bis(diethylamino) hexanedioate
CID 18954541
bis[(3-ethyl-2-methylpent-2-enoyl)oxy]-oxophosphanium
CID 22140109
butyl 3-ethyl-2-methylundec-2-enoate
CID 175495316
octyl 3-ethyl-2-methylhex-2-enoate
CID 175495245
(3-ethyl-2-methylpent-2-enoyl)oxy-hydroxy-oxophosphanium
CID 87142301
phosphono 3-ethyl-2-methylpent-2-enoate
CID 154158605
[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]sulfamoyl] 3-ethyl-2-methylnon-2-enoate
CID 174740134
2-(2-methylprop-2-enoyloxy)ethyl 3-ethyl-2-methyl-5-(propylamino)pent-2-enoate
CID 175509249
methyl 2-methyl-3-propylhex-2-enoate
CID 15856734
ethyl 5-amino-3-ethyl-2-(2-hydroxyethyl)pent-2-enoate
CID 57041627

Frequently Asked Questions

What is the IUPAC name of diethylamino 3-ethyl-5-hydroxy-2-methylpent-2-enoate?
The IUPAC name of diethylamino 3-ethyl-5-hydroxy-2-methylpent-2-enoate (CID 57180067) is diethylamino 3-ethyl-5-hydroxy-2-methylpent-2-enoate.
What is the SMILES notation for diethylamino 3-ethyl-5-hydroxy-2-methylpent-2-enoate?
The canonical SMILES for diethylamino 3-ethyl-5-hydroxy-2-methylpent-2-enoate is CCC(CCO)=C(C)C(=O)ON(CC)CC.
What is the InChIKey of diethylamino 3-ethyl-5-hydroxy-2-methylpent-2-enoate?
The InChIKey is VRNASFCJRUUGNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-5-11(8-9-14)10(4)12(15)16-13(6-2)7-3/h14H,5-9H2,1-4H3.
What are the key properties of diethylamino 3-ethyl-5-hydroxy-2-methylpent-2-enoate?
diethylamino 3-ethyl-5-hydroxy-2-methylpent-2-enoate has a molecular weight of 229.32 g/mol, XLogP of 1.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethylamino 3-ethyl-5-hydroxy-2-methylpent-2-enoate is sourced from PubChem (CID 57180067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).