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

C13H17NO6 — CID 107831912

IUPAC2-hydroxy-4-[[2-(2-methoxyphenoxy)acetyl]amino]butanoic acid
SMILESCOc1ccccc1OCC(=O)NCCC(O)C(=O)O
InChIInChI=1S/C13H17NO6/c1-19-10-4-2-3-5-11(10)20-8-12(16)14-7-6-9(15)13(17)18/h2-5,9,15H,6-8H2,1H3,(H,14,16)(H,17,18)
InChIKeyPBYRGRVQYDFFSG-UHFFFAOYSA-N
MW283.28 g/mol
LogP0.03
Rot. Bonds8

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

2-hydroxy-4-[[2-(2-methoxyphenoxy)acetyl]amino]butanoic acid (PubChem CID 107831912) has the molecular formula C13H17NO6 and a molecular weight of 283.28 g/mol. Its IUPAC name is 2-hydroxy-4-[[2-(2-methoxyphenoxy)acetyl]amino]butanoic acid.

Molecular Properties

Compound Name2-hydroxy-4-[[2-(2-methoxyphenoxy)acetyl]amino]butanoic acid
PubChem CID107831912
Molecular FormulaC13H17NO6
Molecular Weight283.28 g/mol
Exact Mass283.11
IUPAC Name2-hydroxy-4-[[2-(2-methoxyphenoxy)acetyl]amino]butanoic acid
SMILESCOc1ccccc1OCC(=O)NCCC(O)C(=O)O
InChIInChI=1S/C13H17NO6/c1-19-10-4-2-3-5-11(10)20-8-12(16)14-7-6-9(15)13(17)18/h2-5,9,15H,6-8H2,1H3,(H,14,16)(H,17,18)
InChIKeyPBYRGRVQYDFFSG-UHFFFAOYSA-N
XLogP0.03
TPSA105.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-hydroxy-4-[[2-(2-propan-2-ylphenoxy)acetyl]amino]butanoic acid
CID 107832254
N-(3-hydroxypentyl)-2-(2-methoxyphenoxy)acetamide
CID 115703728
N-(3-aminobutyl)-2-(2-methoxyphenoxy)acetamide;hydrochloride
CID 119494768
3-hydroxy-2-[[2-(2-methoxyphenoxy)acetyl]amino]butanoic acid
CID 43238739
N-(2-hydroxypentyl)-2-(2-methoxyphenoxy)acetamide
CID 115700511
2-(2-ethoxyphenoxy)-N-[2-(2-methoxyphenoxy)ethyl]acetamide
CID 8961000
N-(2-hydroxy-3-methylbutyl)-2-(2-methoxyphenoxy)acetamide
CID 115701647
N-hexyl-2-(2-methoxyphenoxy)acetamide
CID 19169780
2-hydroxy-4-[[2-(2,4,6-trimethylphenoxy)acetyl]amino]butanoic acid
CID 107831855
(2S)-4-[[2-(4-ethoxyphenoxy)acetyl]amino]-2-hydroxybutanoic acid
CID 107834053
(2S)-2-[[2-(2-methoxyphenoxy)acetyl]amino]propanoic acid
CID 746811
4-[[2-(2-chloro-4-fluorophenoxy)acetyl]amino]-2-hydroxybutanoic acid
CID 107831753

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-[[2-(2-methoxyphenoxy)acetyl]amino]butanoic acid?
The IUPAC name of 2-hydroxy-4-[[2-(2-methoxyphenoxy)acetyl]amino]butanoic acid (CID 107831912) is 2-hydroxy-4-[[2-(2-methoxyphenoxy)acetyl]amino]butanoic acid.
What is the SMILES notation for 2-hydroxy-4-[[2-(2-methoxyphenoxy)acetyl]amino]butanoic acid?
The canonical SMILES for 2-hydroxy-4-[[2-(2-methoxyphenoxy)acetyl]amino]butanoic acid is COc1ccccc1OCC(=O)NCCC(O)C(=O)O.
What is the InChIKey of 2-hydroxy-4-[[2-(2-methoxyphenoxy)acetyl]amino]butanoic acid?
The InChIKey is PBYRGRVQYDFFSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO6/c1-19-10-4-2-3-5-11(10)20-8-12(16)14-7-6-9(15)13(17)18/h2-5,9,15H,6-8H2,1H3,(H,14,16)(H,17,18).
What are the key properties of 2-hydroxy-4-[[2-(2-methoxyphenoxy)acetyl]amino]butanoic acid?
2-hydroxy-4-[[2-(2-methoxyphenoxy)acetyl]amino]butanoic acid has a molecular weight of 283.28 g/mol, XLogP of 0.03, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-[[2-(2-methoxyphenoxy)acetyl]amino]butanoic acid is sourced from PubChem (CID 107831912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).