but-2-enyl 2-amino-3-(4-hydroxyphenyl)propanoate

C13H17NO3 — CID 175043872

IUPACbut-2-enyl 2-amino-3-(4-hydroxyphenyl)propanoate
SMILESCC=CCOC(=O)C(N)Cc1ccc(O)cc1
InChIInChI=1S/C13H17NO3/c1-2-3-8-17-13(16)12(14)9-10-4-6-11(15)7-5-10/h2-7,12,15H,8-9,14H2,1H3
InChIKeyFISHUTSULMHIAM-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.38
Rot. Bonds5

About but-2-enyl 2-amino-3-(4-hydroxyphenyl)propanoate

but-2-enyl 2-amino-3-(4-hydroxyphenyl)propanoate (PubChem CID 175043872) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is but-2-enyl 2-amino-3-(4-hydroxyphenyl)propanoate.

Molecular Properties

Compound Namebut-2-enyl 2-amino-3-(4-hydroxyphenyl)propanoate
PubChem CID175043872
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Namebut-2-enyl 2-amino-3-(4-hydroxyphenyl)propanoate
SMILESCC=CCOC(=O)C(N)Cc1ccc(O)cc1
InChIInChI=1S/C13H17NO3/c1-2-3-8-17-13(16)12(14)9-10-4-6-11(15)7-5-10/h2-7,12,15H,8-9,14H2,1H3
InChIKeyFISHUTSULMHIAM-UHFFFAOYSA-N
XLogP1.38
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.38
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

prop-2-enyl (2S)-2-amino-3-(4-hydroxyphenyl)propanoate;hydrochloride
CID 138991803
methyl 2-amino-3-(4-hydroxyphenyl)propanoate
CID 144819630
azane;ethyl 2-amino-3-(4-hydroxyphenyl)propanoate;hydrofluoride
CID 174185401
ethane;3-methylbutyl 2-amino-3-(4-hydroxyphenyl)propanoate
CID 142497424
acetyl 2-amino-3-(4-hydroxyphenyl)propanoate
CID 22287971
bromo (2S)-2-amino-3-(4-hydroxyphenyl)propanoate
CID 56980612
2-amino-3-[4-[(E)-but-2-enoxy]phenyl]propanoic acid
CID 143493409
2-fluoroethyl (2S)-2-amino-3-(4-hydroxyphenyl)propanoate
CID 87854570
[deuterio(fluoro)methyl] (2S)-2-amino-3-(4-hydroxyphenyl)propanoate
CID 87058877
[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl] 2-methylpropanoate
CID 57233650
carbamoyl (2S)-2-amino-3-(4-hydroxyphenyl)propanoate
CID 54129194
2-amino-1-(4-hydroxyphenyl)-4,4-dimethylpentan-3-one
CID 70878581

Frequently Asked Questions

What is the IUPAC name of but-2-enyl 2-amino-3-(4-hydroxyphenyl)propanoate?
The IUPAC name of but-2-enyl 2-amino-3-(4-hydroxyphenyl)propanoate (CID 175043872) is but-2-enyl 2-amino-3-(4-hydroxyphenyl)propanoate.
What is the SMILES notation for but-2-enyl 2-amino-3-(4-hydroxyphenyl)propanoate?
The canonical SMILES for but-2-enyl 2-amino-3-(4-hydroxyphenyl)propanoate is CC=CCOC(=O)C(N)Cc1ccc(O)cc1.
What is the InChIKey of but-2-enyl 2-amino-3-(4-hydroxyphenyl)propanoate?
The InChIKey is FISHUTSULMHIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-2-3-8-17-13(16)12(14)9-10-4-6-11(15)7-5-10/h2-7,12,15H,8-9,14H2,1H3.
What are the key properties of but-2-enyl 2-amino-3-(4-hydroxyphenyl)propanoate?
but-2-enyl 2-amino-3-(4-hydroxyphenyl)propanoate has a molecular weight of 235.28 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for but-2-enyl 2-amino-3-(4-hydroxyphenyl)propanoate is sourced from PubChem (CID 175043872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).