[1-(ethylamino)-5-hydroxy-1-oxopentan-2-yl] prop-2-enoate

C10H17NO4 — CID 54519937

IUPAC[1-(ethylamino)-5-hydroxy-1-oxopentan-2-yl] prop-2-enoate
SMILESC=CC(=O)OC(CCCO)C(=O)NCC
InChIInChI=1S/C10H17NO4/c1-3-9(13)15-8(6-5-7-12)10(14)11-4-2/h3,8,12H,1,4-7H2,2H3,(H,11,14)
InChIKeyYPBOKQZTOBBPBZ-UHFFFAOYSA-N
MW215.25 g/mol
LogP-0.01
Rot. Bonds7

About [1-(ethylamino)-5-hydroxy-1-oxopentan-2-yl] prop-2-enoate

[1-(ethylamino)-5-hydroxy-1-oxopentan-2-yl] prop-2-enoate (PubChem CID 54519937) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is [1-(ethylamino)-5-hydroxy-1-oxopentan-2-yl] prop-2-enoate.

Molecular Properties

Compound Name[1-(ethylamino)-5-hydroxy-1-oxopentan-2-yl] prop-2-enoate
PubChem CID54519937
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name[1-(ethylamino)-5-hydroxy-1-oxopentan-2-yl] prop-2-enoate
SMILESC=CC(=O)OC(CCCO)C(=O)NCC
InChIInChI=1S/C10H17NO4/c1-3-9(13)15-8(6-5-7-12)10(14)11-4-2/h3,8,12H,1,4-7H2,2H3,(H,11,14)
InChIKeyYPBOKQZTOBBPBZ-UHFFFAOYSA-N
XLogP-0.01
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-(ethylamino)-5-hydroxy-1-oxopentan-2-yl] prop-2-enoate?
The IUPAC name of [1-(ethylamino)-5-hydroxy-1-oxopentan-2-yl] prop-2-enoate (CID 54519937) is [1-(ethylamino)-5-hydroxy-1-oxopentan-2-yl] prop-2-enoate.
What is the SMILES notation for [1-(ethylamino)-5-hydroxy-1-oxopentan-2-yl] prop-2-enoate?
The canonical SMILES for [1-(ethylamino)-5-hydroxy-1-oxopentan-2-yl] prop-2-enoate is C=CC(=O)OC(CCCO)C(=O)NCC.
What is the InChIKey of [1-(ethylamino)-5-hydroxy-1-oxopentan-2-yl] prop-2-enoate?
The InChIKey is YPBOKQZTOBBPBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-3-9(13)15-8(6-5-7-12)10(14)11-4-2/h3,8,12H,1,4-7H2,2H3,(H,11,14).
What are the key properties of [1-(ethylamino)-5-hydroxy-1-oxopentan-2-yl] prop-2-enoate?
[1-(ethylamino)-5-hydroxy-1-oxopentan-2-yl] prop-2-enoate has a molecular weight of 215.25 g/mol, XLogP of -0.01, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(ethylamino)-5-hydroxy-1-oxopentan-2-yl] prop-2-enoate is sourced from PubChem (CID 54519937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).