2-hydroxy-2-methyl-3-[[2-(2-methylphenoxy)acetyl]amino]propanoic acid

C13H17NO5 — CID 66174192

IUPAC2-hydroxy-2-methyl-3-[[2-(2-methylphenoxy)acetyl]amino]propanoic acid
SMILESCc1ccccc1OCC(=O)NCC(C)(O)C(=O)O
InChIInChI=1S/C13H17NO5/c1-9-5-3-4-6-10(9)19-7-11(15)14-8-13(2,18)12(16)17/h3-6,18H,7-8H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyGJINULAATHKPDO-UHFFFAOYSA-N
MW267.28 g/mol
LogP0.33
Rot. Bonds6

About 2-hydroxy-2-methyl-3-[[2-(2-methylphenoxy)acetyl]amino]propanoic acid

2-hydroxy-2-methyl-3-[[2-(2-methylphenoxy)acetyl]amino]propanoic acid (PubChem CID 66174192) has the molecular formula C13H17NO5 and a molecular weight of 267.28 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-3-[[2-(2-methylphenoxy)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name2-hydroxy-2-methyl-3-[[2-(2-methylphenoxy)acetyl]amino]propanoic acid
PubChem CID66174192
Molecular FormulaC13H17NO5
Molecular Weight267.28 g/mol
Exact Mass267.11
IUPAC Name2-hydroxy-2-methyl-3-[[2-(2-methylphenoxy)acetyl]amino]propanoic acid
SMILESCc1ccccc1OCC(=O)NCC(C)(O)C(=O)O
InChIInChI=1S/C13H17NO5/c1-9-5-3-4-6-10(9)19-7-11(15)14-8-13(2,18)12(16)17/h3-6,18H,7-8H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyGJINULAATHKPDO-UHFFFAOYSA-N
XLogP0.33
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-2-(2-methylphenoxy)acetamide
CID 52907058
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-(2-methylphenoxy)acetamide
CID 103839647
2-hydroxy-2-methyl-3-[(2-phenylmethoxyacetyl)amino]propanoic acid
CID 66174585
2-(2-methylphenoxy)-N-pentylacetamide
CID 110756249
N-[(2S)-3-methylbutan-2-yl]-2-(2-methylphenoxy)acetamide
CID 94223613
N-[(2R)-2-hydroxypropyl]-2-(2-methylphenoxy)acetamide
CID 83032241
2-(2-aminophenoxy)-N-(2-hydroxy-2-methylpropyl)acetamide
CID 65103907
N-(1-amino-2-methylpropan-2-yl)-2-(2-methylphenoxy)acetamide
CID 110834301
2-hydroxy-2-methyl-3-[[2-(4-propan-2-ylphenoxy)acetyl]amino]propanoic acid
CID 66172185
3-[[2-(2,5-dimethylphenoxy)acetyl]amino]-2,2-dimethylpropanoic acid
CID 81368937
2-hydroxy-2-methyl-3-(2-methylanilino)propanoic acid
CID 104643822
N-[(3R)-3-hydroxy-3-phenylpropyl]-2-(2-methylphenoxy)acetamide
CID 96568300

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-3-[[2-(2-methylphenoxy)acetyl]amino]propanoic acid?
The IUPAC name of 2-hydroxy-2-methyl-3-[[2-(2-methylphenoxy)acetyl]amino]propanoic acid (CID 66174192) is 2-hydroxy-2-methyl-3-[[2-(2-methylphenoxy)acetyl]amino]propanoic acid.
What is the SMILES notation for 2-hydroxy-2-methyl-3-[[2-(2-methylphenoxy)acetyl]amino]propanoic acid?
The canonical SMILES for 2-hydroxy-2-methyl-3-[[2-(2-methylphenoxy)acetyl]amino]propanoic acid is Cc1ccccc1OCC(=O)NCC(C)(O)C(=O)O.
What is the InChIKey of 2-hydroxy-2-methyl-3-[[2-(2-methylphenoxy)acetyl]amino]propanoic acid?
The InChIKey is GJINULAATHKPDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO5/c1-9-5-3-4-6-10(9)19-7-11(15)14-8-13(2,18)12(16)17/h3-6,18H,7-8H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 2-hydroxy-2-methyl-3-[[2-(2-methylphenoxy)acetyl]amino]propanoic acid?
2-hydroxy-2-methyl-3-[[2-(2-methylphenoxy)acetyl]amino]propanoic acid has a molecular weight of 267.28 g/mol, XLogP of 0.33, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methyl-3-[[2-(2-methylphenoxy)acetyl]amino]propanoic acid is sourced from PubChem (CID 66174192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).