[(E)-2-hydroxy-5-(methylamino)pent-4-enyl] acetate

C8H15NO3 — CID 155003200

IUPAC[(E)-2-hydroxy-5-(methylamino)pent-4-enyl] acetate
SMILESCN/C=C/CC(O)COC(C)=O
InChIInChI=1S/C8H15NO3/c1-7(10)12-6-8(11)4-3-5-9-2/h3,5,8-9,11H,4,6H2,1-2H3/b5-3+
InChIKeyUGEIWGBADHKWPD-HWKANZROSA-N
MW173.21 g/mol
LogP0.03
Rot. Bonds5

About [(E)-2-hydroxy-5-(methylamino)pent-4-enyl] acetate

[(E)-2-hydroxy-5-(methylamino)pent-4-enyl] acetate (PubChem CID 155003200) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is [(E)-2-hydroxy-5-(methylamino)pent-4-enyl] acetate.

Molecular Properties

Compound Name[(E)-2-hydroxy-5-(methylamino)pent-4-enyl] acetate
PubChem CID155003200
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name[(E)-2-hydroxy-5-(methylamino)pent-4-enyl] acetate
SMILESCN/C=C/CC(O)COC(C)=O
InChIInChI=1S/C8H15NO3/c1-7(10)12-6-8(11)4-3-5-9-2/h3,5,8-9,11H,4,6H2,1-2H3/b5-3+
InChIKeyUGEIWGBADHKWPD-HWKANZROSA-N
XLogP0.03
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 130125053
copper;2,3-dihydroxypropyl acetate
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3-acetyloxy-2-hydroxypropane-1-sulfonic acid
CID 20821763
(5-acetyloxy-4-hydroxypentyl) acetate
CID 74929582
[(2R,3S,4S,5S)-6-acetyloxy-2,3,4,5-tetrahydroxyhexyl] acetate
CID 102116245
2-hydroxypropyl acetate;mercury
CID 174858394
2-chloropropyl acetate
CID 527885
2,6-dihydroxyoctyl acetate
CID 58013533
[3-[ethenoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] acetate
CID 89188019
[2-(1-hydroxyethoxy)-3-[hydroxy-[(E)-2-(methylamino)ethenoxy]phosphoryl]oxypropyl] acetate
CID 89188015
2-hydroxytridecyl acetate
CID 170716401

Frequently Asked Questions

What is the IUPAC name of [(E)-2-hydroxy-5-(methylamino)pent-4-enyl] acetate?
The IUPAC name of [(E)-2-hydroxy-5-(methylamino)pent-4-enyl] acetate (CID 155003200) is [(E)-2-hydroxy-5-(methylamino)pent-4-enyl] acetate.
What is the SMILES notation for [(E)-2-hydroxy-5-(methylamino)pent-4-enyl] acetate?
The canonical SMILES for [(E)-2-hydroxy-5-(methylamino)pent-4-enyl] acetate is CN/C=C/CC(O)COC(C)=O.
What is the InChIKey of [(E)-2-hydroxy-5-(methylamino)pent-4-enyl] acetate?
The InChIKey is UGEIWGBADHKWPD-HWKANZROSA-N. The full InChI is InChI=1S/C8H15NO3/c1-7(10)12-6-8(11)4-3-5-9-2/h3,5,8-9,11H,4,6H2,1-2H3/b5-3+.
What are the key properties of [(E)-2-hydroxy-5-(methylamino)pent-4-enyl] acetate?
[(E)-2-hydroxy-5-(methylamino)pent-4-enyl] acetate has a molecular weight of 173.21 g/mol, XLogP of 0.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-hydroxy-5-(methylamino)pent-4-enyl] acetate is sourced from PubChem (CID 155003200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).