[ethyl(pentan-3-yl)amino] prop-2-enoate

C10H19NO2 — CID 87581943

IUPAC[ethyl(pentan-3-yl)amino] prop-2-enoate
SMILESC=CC(=O)ON(CC)C(CC)CC
InChIInChI=1S/C10H19NO2/c1-5-9(6-2)11(8-4)13-10(12)7-3/h7,9H,3,5-6,8H2,1-2,4H3
InChIKeyYWYCPOCHTDBKMP-UHFFFAOYSA-N
MW185.27 g/mol
LogP2.14
Rot. Bonds6

About [ethyl(pentan-3-yl)amino] prop-2-enoate

[ethyl(pentan-3-yl)amino] prop-2-enoate (PubChem CID 87581943) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is [ethyl(pentan-3-yl)amino] prop-2-enoate.

Molecular Properties

Compound Name[ethyl(pentan-3-yl)amino] prop-2-enoate
PubChem CID87581943
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name[ethyl(pentan-3-yl)amino] prop-2-enoate
SMILESC=CC(=O)ON(CC)C(CC)CC
InChIInChI=1S/C10H19NO2/c1-5-9(6-2)11(8-4)13-10(12)7-3/h7,9H,3,5-6,8H2,1-2,4H3
InChIKeyYWYCPOCHTDBKMP-UHFFFAOYSA-N
XLogP2.14
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 52.14
H-Bond Donors ≤ 50
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

[ethyl(pentan-3-yl)amino] 2-methylprop-2-enoate;[ethyl(pentan-3-yl)amino] prop-2-enoate;dihydrochloride
CID 173494569
[butyl(pentan-3-yl)amino] prop-2-enoate
CID 21315273
[ethyl(methyl)amino] prop-2-enoate
CID 154170734
[ethyl(methoxycarbonyl)amino] prop-2-enoate
CID 174452943
bis(methyl prop-2-enoate);propane
CID 160610529
dimethylamino prop-2-enoate
CID 20697927
[ethyl(2-methylpropoxycarbonyl)amino] prop-2-enoate
CID 145309283
azane;dimethylamino prop-2-enoate
CID 162313992
[(1S)-1-hydroxypropyl] prop-2-enoate
CID 88739010
but-1-ene;methyl prop-2-eneperoxoate
CID 157272796
1-(dimethylamino)propyl prop-2-enoate;hydrofluoride
CID 173036316
1-(diethylamino)prop-2-enyl prop-2-enoate
CID 87565794

Frequently Asked Questions

What is the IUPAC name of [ethyl(pentan-3-yl)amino] prop-2-enoate?
The IUPAC name of [ethyl(pentan-3-yl)amino] prop-2-enoate (CID 87581943) is [ethyl(pentan-3-yl)amino] prop-2-enoate.
What is the SMILES notation for [ethyl(pentan-3-yl)amino] prop-2-enoate?
The canonical SMILES for [ethyl(pentan-3-yl)amino] prop-2-enoate is C=CC(=O)ON(CC)C(CC)CC.
What is the InChIKey of [ethyl(pentan-3-yl)amino] prop-2-enoate?
The InChIKey is YWYCPOCHTDBKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-5-9(6-2)11(8-4)13-10(12)7-3/h7,9H,3,5-6,8H2,1-2,4H3.
What are the key properties of [ethyl(pentan-3-yl)amino] prop-2-enoate?
[ethyl(pentan-3-yl)amino] prop-2-enoate has a molecular weight of 185.27 g/mol, XLogP of 2.14, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [ethyl(pentan-3-yl)amino] prop-2-enoate is sourced from PubChem (CID 87581943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).