ethyl 4-(but-3-en-2-ylamino)-3-hydroxybutanoate

C10H19NO3 — CID 103264908

IUPACethyl 4-(but-3-en-2-ylamino)-3-hydroxybutanoate
SMILESC=CC(C)NCC(O)CC(=O)OCC
InChIInChI=1S/C10H19NO3/c1-4-8(3)11-7-9(12)6-10(13)14-5-2/h4,8-9,11-12H,1,5-7H2,2-3H3
InChIKeyKMKAFZYNPIXYPU-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.46
Rot. Bonds7

About ethyl 4-(but-3-en-2-ylamino)-3-hydroxybutanoate

ethyl 4-(but-3-en-2-ylamino)-3-hydroxybutanoate (PubChem CID 103264908) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is ethyl 4-(but-3-en-2-ylamino)-3-hydroxybutanoate.

Molecular Properties

Compound Nameethyl 4-(but-3-en-2-ylamino)-3-hydroxybutanoate
PubChem CID103264908
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Nameethyl 4-(but-3-en-2-ylamino)-3-hydroxybutanoate
SMILESC=CC(C)NCC(O)CC(=O)OCC
InChIInChI=1S/C10H19NO3/c1-4-8(3)11-7-9(12)6-10(13)14-5-2/h4,8-9,11-12H,1,5-7H2,2-3H3
InChIKeyKMKAFZYNPIXYPU-UHFFFAOYSA-N
XLogP0.46
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-(1-cyclopropylpropan-2-ylamino)-3-hydroxybutanoate
CID 103251140
ethyl (3R)-3-methylpent-4-enoate
CID 173481995
ethyl 4-(1-cyclobutylethylamino)-3-hydroxybutanoate
CID 103268251
ethyl 3-hydroxy-4-(1-phenylethylamino)butanoate
CID 103230788
ethyl 3-hydroxy-4-(2-methylpropoxyamino)butanoate
CID 103261561
ethyl N-but-3-en-2-ylcarbamate
CID 55287045
methyl 2-bromo-3-(but-3-en-2-ylamino)propanoate
CID 103264917
ethyl 3-hydroxy-4-(2-methylsulfanylpropylamino)butanoate
CID 103265433
ethyl 4-[1-(furan-2-yl)ethylamino]-3-hydroxybutanoate
CID 103238482
ethyl 3-hydroxy-4-(2,2,2-trifluoroethylamino)butanoate
CID 103235295
ethyl 3-hydroxy-4-(2-methylsulfinylpropylamino)butanoate
CID 103265700
ethyl 3-hydroxy-4-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]butanoate
CID 103263521

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(but-3-en-2-ylamino)-3-hydroxybutanoate?
The IUPAC name of ethyl 4-(but-3-en-2-ylamino)-3-hydroxybutanoate (CID 103264908) is ethyl 4-(but-3-en-2-ylamino)-3-hydroxybutanoate.
What is the SMILES notation for ethyl 4-(but-3-en-2-ylamino)-3-hydroxybutanoate?
The canonical SMILES for ethyl 4-(but-3-en-2-ylamino)-3-hydroxybutanoate is C=CC(C)NCC(O)CC(=O)OCC.
What is the InChIKey of ethyl 4-(but-3-en-2-ylamino)-3-hydroxybutanoate?
The InChIKey is KMKAFZYNPIXYPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-4-8(3)11-7-9(12)6-10(13)14-5-2/h4,8-9,11-12H,1,5-7H2,2-3H3.
What are the key properties of ethyl 4-(but-3-en-2-ylamino)-3-hydroxybutanoate?
ethyl 4-(but-3-en-2-ylamino)-3-hydroxybutanoate has a molecular weight of 201.27 g/mol, XLogP of 0.46, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(but-3-en-2-ylamino)-3-hydroxybutanoate is sourced from PubChem (CID 103264908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).