2-[3-(2-hydroxyphenyl)propanoylamino]propanoic acid

C12H15NO4 — CID 43241188

IUPAC2-[3-(2-hydroxyphenyl)propanoylamino]propanoic acid
SMILESCC(NC(=O)CCc1ccccc1O)C(=O)O
InChIInChI=1S/C12H15NO4/c1-8(12(16)17)13-11(15)7-6-9-4-2-3-5-10(9)14/h2-5,8,14H,6-7H2,1H3,(H,13,15)(H,16,17)
InChIKeyZTHIAISOYIDTMY-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.91
Rot. Bonds5

About 2-[3-(2-hydroxyphenyl)propanoylamino]propanoic acid

2-[3-(2-hydroxyphenyl)propanoylamino]propanoic acid (PubChem CID 43241188) has the molecular formula C12H15NO4 and a molecular weight of 237.26 g/mol. Its IUPAC name is 2-[3-(2-hydroxyphenyl)propanoylamino]propanoic acid.

Molecular Properties

Compound Name2-[3-(2-hydroxyphenyl)propanoylamino]propanoic acid
PubChem CID43241188
Molecular FormulaC12H15NO4
Molecular Weight237.26 g/mol
Exact Mass237.10
IUPAC Name2-[3-(2-hydroxyphenyl)propanoylamino]propanoic acid
SMILESCC(NC(=O)CCc1ccccc1O)C(=O)O
InChIInChI=1S/C12H15NO4/c1-8(12(16)17)13-11(15)7-6-9-4-2-3-5-10(9)14/h2-5,8,14H,6-7H2,1H3,(H,13,15)(H,16,17)
InChIKeyZTHIAISOYIDTMY-UHFFFAOYSA-N
XLogP0.91
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[3-(2-hydroxyphenyl)propanoylamino]-3-methylbutanoic acid
CID 61137608
methyl 2-[3-(2-hydroxyphenyl)propanoylamino]propanoate
CID 60712354
(2S)-2-[3-(2,3-difluorophenyl)propanoylamino]propanoic acid
CID 119238181
N-[(2S)-1-cyanopropan-2-yl]-3-(2-hydroxyphenyl)propanamide
CID 94817990
(2S)-2-(3-quinolin-4-ylpropanoylamino)propanoic acid
CID 119943149
(2R)-2-(3-pyridin-2-ylpropanoylamino)propanoic acid
CID 81454532
propan-2-yl 3-[3-(2-hydroxyphenyl)propanoylamino]-3-phenylpropanoate
CID 43035542
(2R)-2-[[2-(2-iodophenyl)acetyl]amino]propanoic acid
CID 120526942
(2R)-2-[[2-(2-fluorophenyl)acetyl]amino]propanoic acid
CID 30120740
N-(2,2-diphenylethyl)-3-(2-hydroxyphenyl)propanamide
CID 38638784
(2R)-2-[(2-naphthalen-1-ylacetyl)amino]propanoic acid
CID 2088738
(2S)-2-[4-(1H-indol-3-yl)butanoylamino]propanoic acid
CID 644229

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-hydroxyphenyl)propanoylamino]propanoic acid?
The IUPAC name of 2-[3-(2-hydroxyphenyl)propanoylamino]propanoic acid (CID 43241188) is 2-[3-(2-hydroxyphenyl)propanoylamino]propanoic acid.
What is the SMILES notation for 2-[3-(2-hydroxyphenyl)propanoylamino]propanoic acid?
The canonical SMILES for 2-[3-(2-hydroxyphenyl)propanoylamino]propanoic acid is CC(NC(=O)CCc1ccccc1O)C(=O)O.
What is the InChIKey of 2-[3-(2-hydroxyphenyl)propanoylamino]propanoic acid?
The InChIKey is ZTHIAISOYIDTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-8(12(16)17)13-11(15)7-6-9-4-2-3-5-10(9)14/h2-5,8,14H,6-7H2,1H3,(H,13,15)(H,16,17).
What are the key properties of 2-[3-(2-hydroxyphenyl)propanoylamino]propanoic acid?
2-[3-(2-hydroxyphenyl)propanoylamino]propanoic acid has a molecular weight of 237.26 g/mol, XLogP of 0.91, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-hydroxyphenyl)propanoylamino]propanoic acid is sourced from PubChem (CID 43241188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).