2-ethyl-2-[[2-(3-hydroxyphenyl)acetyl]amino]butanoic acid

C14H19NO4 — CID 79806517

IUPAC2-ethyl-2-[[2-(3-hydroxyphenyl)acetyl]amino]butanoic acid
SMILESCCC(CC)(NC(=O)Cc1cccc(O)c1)C(=O)O
InChIInChI=1S/C14H19NO4/c1-3-14(4-2,13(18)19)15-12(17)9-10-6-5-7-11(16)8-10/h5-8,16H,3-4,9H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyQUVZGFQWDKQNIZ-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.69
Rot. Bonds6

About 2-ethyl-2-[[2-(3-hydroxyphenyl)acetyl]amino]butanoic acid

2-ethyl-2-[[2-(3-hydroxyphenyl)acetyl]amino]butanoic acid (PubChem CID 79806517) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-ethyl-2-[[2-(3-hydroxyphenyl)acetyl]amino]butanoic acid.

Molecular Properties

Compound Name2-ethyl-2-[[2-(3-hydroxyphenyl)acetyl]amino]butanoic acid
PubChem CID79806517
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name2-ethyl-2-[[2-(3-hydroxyphenyl)acetyl]amino]butanoic acid
SMILESCCC(CC)(NC(=O)Cc1cccc(O)c1)C(=O)O
InChIInChI=1S/C14H19NO4/c1-3-14(4-2,13(18)19)15-12(17)9-10-6-5-7-11(16)8-10/h5-8,16H,3-4,9H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyQUVZGFQWDKQNIZ-UHFFFAOYSA-N
XLogP1.69
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-2-(3-hydroxyphenyl)acetamide
CID 61399885
N-(1-amino-2-methylbutan-2-yl)-2-(3-hydroxyphenyl)acetamide
CID 64548850
methyl 2-[[2-(3-hydroxyphenyl)acetyl]amino]-2-methylpentanoate
CID 61399994
N-ethoxy-2-(3-hydroxyphenyl)acetamide
CID 62039263
2-(3-hydroxyphenyl)-N-(1-methoxy-2-phenylpropan-2-yl)acetamide
CID 75518765
2-acetamido-2-ethylbutanoic acid;1,2,3-trimethylbenzene
CID 67885235
2-ethyl-2-[2-(3-methylphenyl)ethylcarbamoylamino]butanoic acid
CID 79815199
(2S)-2-[(4-hydroxyphenyl)methyl]-2-(3-phenylpropanoylamino)butanoic acid
CID 68843476
2-methyl-2-[[2-(3-methylphenyl)acetyl]amino]propanoic acid
CID 55068083
2-ethyl-2-[[2-(4-methoxy-2-methylphenyl)acetyl]amino]butanoic acid
CID 54464746
2-ethoxycarbonyl-2-[(3-hydroxyphenyl)methyl]butanoic acid
CID 113360470
3-(aminomethyl)-1-(3-hydroxyphenyl)-3-methylpentan-2-one
CID 116610789

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[[2-(3-hydroxyphenyl)acetyl]amino]butanoic acid?
The IUPAC name of 2-ethyl-2-[[2-(3-hydroxyphenyl)acetyl]amino]butanoic acid (CID 79806517) is 2-ethyl-2-[[2-(3-hydroxyphenyl)acetyl]amino]butanoic acid.
What is the SMILES notation for 2-ethyl-2-[[2-(3-hydroxyphenyl)acetyl]amino]butanoic acid?
The canonical SMILES for 2-ethyl-2-[[2-(3-hydroxyphenyl)acetyl]amino]butanoic acid is CCC(CC)(NC(=O)Cc1cccc(O)c1)C(=O)O.
What is the InChIKey of 2-ethyl-2-[[2-(3-hydroxyphenyl)acetyl]amino]butanoic acid?
The InChIKey is QUVZGFQWDKQNIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-3-14(4-2,13(18)19)15-12(17)9-10-6-5-7-11(16)8-10/h5-8,16H,3-4,9H2,1-2H3,(H,15,17)(H,18,19).
What are the key properties of 2-ethyl-2-[[2-(3-hydroxyphenyl)acetyl]amino]butanoic acid?
2-ethyl-2-[[2-(3-hydroxyphenyl)acetyl]amino]butanoic acid has a molecular weight of 265.31 g/mol, XLogP of 1.69, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[[2-(3-hydroxyphenyl)acetyl]amino]butanoic acid is sourced from PubChem (CID 79806517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).