3-hydroxy-2-[[2-(2-methoxyphenoxy)acetyl]amino]butanoic acid

C13H17NO6 — CID 43238739

IUPAC3-hydroxy-2-[[2-(2-methoxyphenoxy)acetyl]amino]butanoic acid
SMILESCOc1ccccc1OCC(=O)NC(C(=O)O)C(C)O
InChIInChI=1S/C13H17NO6/c1-8(15)12(13(17)18)14-11(16)7-20-10-6-4-3-5-9(10)19-2/h3-6,8,12,15H,7H2,1-2H3,(H,14,16)(H,17,18)
InChIKeySMLFPWKMISVKCG-UHFFFAOYSA-N
MW283.28 g/mol
LogP0.02
Rot. Bonds7

About 3-hydroxy-2-[[2-(2-methoxyphenoxy)acetyl]amino]butanoic acid

3-hydroxy-2-[[2-(2-methoxyphenoxy)acetyl]amino]butanoic acid (PubChem CID 43238739) has the molecular formula C13H17NO6 and a molecular weight of 283.28 g/mol. Its IUPAC name is 3-hydroxy-2-[[2-(2-methoxyphenoxy)acetyl]amino]butanoic acid.

Molecular Properties

Compound Name3-hydroxy-2-[[2-(2-methoxyphenoxy)acetyl]amino]butanoic acid
PubChem CID43238739
Molecular FormulaC13H17NO6
Molecular Weight283.28 g/mol
Exact Mass283.11
IUPAC Name3-hydroxy-2-[[2-(2-methoxyphenoxy)acetyl]amino]butanoic acid
SMILESCOc1ccccc1OCC(=O)NC(C(=O)O)C(C)O
InChIInChI=1S/C13H17NO6/c1-8(15)12(13(17)18)14-11(16)7-20-10-6-4-3-5-9(10)19-2/h3-6,8,12,15H,7H2,1-2H3,(H,14,16)(H,17,18)
InChIKeySMLFPWKMISVKCG-UHFFFAOYSA-N
XLogP0.02
TPSA105.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[[2-(2-methoxyphenoxy)acetyl]amino]propanoic acid
CID 746811
(2S,3R)-2-[[2-(2-cyanophenoxy)acetyl]amino]-3-hydroxybutanoic acid
CID 104965105
(2S,3R)-2-[[2-(2,3-dimethylphenoxy)acetyl]amino]-3-hydroxybutanoic acid
CID 104964954
methyl (2R)-2-[[2-(2-methoxyphenoxy)acetyl]amino]propanoate
CID 113257879
N-[(2R)-1-hydroxypropan-2-yl]-2-(2-methoxyphenoxy)acetamide
CID 39086763
2-(2-methoxyphenoxy)-N-(2-methyl-1-phenylpropyl)acetamide
CID 51213896
(2S,3R)-2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]-3-hydroxybutanoic acid
CID 104964738
2-(2-methoxyphenoxy)-N-pentan-2-ylacetamide
CID 2957379
(2R)-2-[3-(2-methoxyphenoxy)propanoylamino]-3-methylbutanoic acid
CID 92923984
2-hydroxy-4-[[2-(2-methoxyphenoxy)acetyl]amino]butanoic acid
CID 107831912
(2R)-4-hydroxy-2-[[2-(2-methoxyphenoxy)acetyl]amino]butanoic acid
CID 107822898
methyl (2S)-2-[[2-(2-methoxyphenoxy)acetyl]amino]-2-phenylacetate
CID 95313151

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-[[2-(2-methoxyphenoxy)acetyl]amino]butanoic acid?
The IUPAC name of 3-hydroxy-2-[[2-(2-methoxyphenoxy)acetyl]amino]butanoic acid (CID 43238739) is 3-hydroxy-2-[[2-(2-methoxyphenoxy)acetyl]amino]butanoic acid.
What is the SMILES notation for 3-hydroxy-2-[[2-(2-methoxyphenoxy)acetyl]amino]butanoic acid?
The canonical SMILES for 3-hydroxy-2-[[2-(2-methoxyphenoxy)acetyl]amino]butanoic acid is COc1ccccc1OCC(=O)NC(C(=O)O)C(C)O.
What is the InChIKey of 3-hydroxy-2-[[2-(2-methoxyphenoxy)acetyl]amino]butanoic acid?
The InChIKey is SMLFPWKMISVKCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO6/c1-8(15)12(13(17)18)14-11(16)7-20-10-6-4-3-5-9(10)19-2/h3-6,8,12,15H,7H2,1-2H3,(H,14,16)(H,17,18).
What are the key properties of 3-hydroxy-2-[[2-(2-methoxyphenoxy)acetyl]amino]butanoic acid?
3-hydroxy-2-[[2-(2-methoxyphenoxy)acetyl]amino]butanoic acid has a molecular weight of 283.28 g/mol, XLogP of 0.02, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-[[2-(2-methoxyphenoxy)acetyl]amino]butanoic acid is sourced from PubChem (CID 43238739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).