4-hydroxy-2-[[2-(2-hydroxyphenyl)acetyl]amino]butanoic acid

C12H15NO5 — CID 80741384

IUPAC4-hydroxy-2-[[2-(2-hydroxyphenyl)acetyl]amino]butanoic acid
SMILESO=C(Cc1ccccc1O)NC(CCO)C(=O)O
InChIInChI=1S/C12H15NO5/c14-6-5-9(12(17)18)13-11(16)7-8-3-1-2-4-10(8)15/h1-4,9,14-15H,5-7H2,(H,13,16)(H,17,18)
InChIKeyPIDZQSQYKVHIPX-UHFFFAOYSA-N
MW253.25 g/mol
LogP-0.11
Rot. Bonds6

About 4-hydroxy-2-[[2-(2-hydroxyphenyl)acetyl]amino]butanoic acid

4-hydroxy-2-[[2-(2-hydroxyphenyl)acetyl]amino]butanoic acid (PubChem CID 80741384) has the molecular formula C12H15NO5 and a molecular weight of 253.25 g/mol. Its IUPAC name is 4-hydroxy-2-[[2-(2-hydroxyphenyl)acetyl]amino]butanoic acid.

Molecular Properties

Compound Name4-hydroxy-2-[[2-(2-hydroxyphenyl)acetyl]amino]butanoic acid
PubChem CID80741384
Molecular FormulaC12H15NO5
Molecular Weight253.25 g/mol
Exact Mass253.10
IUPAC Name4-hydroxy-2-[[2-(2-hydroxyphenyl)acetyl]amino]butanoic acid
SMILESO=C(Cc1ccccc1O)NC(CCO)C(=O)O
InChIInChI=1S/C12H15NO5/c14-6-5-9(12(17)18)13-11(16)7-8-3-1-2-4-10(8)15/h1-4,9,14-15H,5-7H2,(H,13,16)(H,17,18)
InChIKeyPIDZQSQYKVHIPX-UHFFFAOYSA-N
XLogP-0.11
TPSA106.86 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 5-0.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(2-hydroxyphenyl)acetyl]amino]pentanoic acid
CID 80740485
2-[[2-(2-fluorophenyl)acetyl]amino]-4-hydroxybutanoic acid
CID 61244543
(2R)-4-hydroxy-2-[(2-naphthalen-1-ylacetyl)amino]butanoic acid
CID 107823520
(2R)-2-[[2-(2-hydroxyphenyl)acetyl]amino]-5-methoxy-5-oxopentanoic acid
CID 107820559
(2R)-2-[[2-(2,6-difluorophenyl)acetyl]amino]-4-hydroxybutanoic acid
CID 107822798
(2S)-2-[[2-(2-hydroxyphenyl)acetyl]amino]-4-methoxy-4-oxobutanoic acid
CID 80741011
(2S)-4-hydroxy-2-[(3-oxo-4-phenylbutanoyl)amino]butanoic acid
CID 123752589
(2R)-2-[[2-(4-aminophenyl)acetyl]amino]-4-hydroxybutanoic acid
CID 107825228
(2R)-2-[[2-(2,4-difluorophenyl)acetyl]amino]-4-hydroxybutanoic acid
CID 107823047
(2R)-4-hydroxy-2-[(2-thiophen-2-ylacetyl)amino]butanoic acid
CID 107822672
(2R)-4-hydroxy-2-[(2-pyridin-3-ylacetyl)amino]butanoic acid
CID 107823734
(2R)-2-[(2-ethylphenyl)methylcarbamoylamino]-4-hydroxybutanoic acid
CID 107828101

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-[[2-(2-hydroxyphenyl)acetyl]amino]butanoic acid?
The IUPAC name of 4-hydroxy-2-[[2-(2-hydroxyphenyl)acetyl]amino]butanoic acid (CID 80741384) is 4-hydroxy-2-[[2-(2-hydroxyphenyl)acetyl]amino]butanoic acid.
What is the SMILES notation for 4-hydroxy-2-[[2-(2-hydroxyphenyl)acetyl]amino]butanoic acid?
The canonical SMILES for 4-hydroxy-2-[[2-(2-hydroxyphenyl)acetyl]amino]butanoic acid is O=C(Cc1ccccc1O)NC(CCO)C(=O)O.
What is the InChIKey of 4-hydroxy-2-[[2-(2-hydroxyphenyl)acetyl]amino]butanoic acid?
The InChIKey is PIDZQSQYKVHIPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO5/c14-6-5-9(12(17)18)13-11(16)7-8-3-1-2-4-10(8)15/h1-4,9,14-15H,5-7H2,(H,13,16)(H,17,18).
What are the key properties of 4-hydroxy-2-[[2-(2-hydroxyphenyl)acetyl]amino]butanoic acid?
4-hydroxy-2-[[2-(2-hydroxyphenyl)acetyl]amino]butanoic acid has a molecular weight of 253.25 g/mol, XLogP of -0.11, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-[[2-(2-hydroxyphenyl)acetyl]amino]butanoic acid is sourced from PubChem (CID 80741384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).