2-hydroxy-2-methyl-3-[[2-(4-propan-2-ylphenoxy)acetyl]amino]propanoic acid

C15H21NO5 — CID 66172185

IUPAC2-hydroxy-2-methyl-3-[[2-(4-propan-2-ylphenoxy)acetyl]amino]propanoic acid
SMILESCC(C)c1ccc(OCC(=O)NCC(C)(O)C(=O)O)cc1
InChIInChI=1S/C15H21NO5/c1-10(2)11-4-6-12(7-5-11)21-8-13(17)16-9-15(3,20)14(18)19/h4-7,10,20H,8-9H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyFXXWVSOKEICAFF-UHFFFAOYSA-N
MW295.33 g/mol
LogP1.14
Rot. Bonds7

About 2-hydroxy-2-methyl-3-[[2-(4-propan-2-ylphenoxy)acetyl]amino]propanoic acid

2-hydroxy-2-methyl-3-[[2-(4-propan-2-ylphenoxy)acetyl]amino]propanoic acid (PubChem CID 66172185) has the molecular formula C15H21NO5 and a molecular weight of 295.33 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-3-[[2-(4-propan-2-ylphenoxy)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name2-hydroxy-2-methyl-3-[[2-(4-propan-2-ylphenoxy)acetyl]amino]propanoic acid
PubChem CID66172185
Molecular FormulaC15H21NO5
Molecular Weight295.33 g/mol
Exact Mass295.14
IUPAC Name2-hydroxy-2-methyl-3-[[2-(4-propan-2-ylphenoxy)acetyl]amino]propanoic acid
SMILESCC(C)c1ccc(OCC(=O)NCC(C)(O)C(=O)O)cc1
InChIInChI=1S/C15H21NO5/c1-10(2)11-4-6-12(7-5-11)21-8-13(17)16-9-15(3,20)14(18)19/h4-7,10,20H,8-9H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyFXXWVSOKEICAFF-UHFFFAOYSA-N
XLogP1.14
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 39951739
N-(2-cyclopropyl-2-hydroxypropyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 90499307
2-[[2-(4-propan-2-ylphenoxy)acetyl]amino]acetic acid
CID 9157069
N-(2,3-dimethoxy-2-methylpropyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 122243927
N-butyl-2-(4-propan-2-ylphenoxy)acetamide
CID 17142930
2-(4-propan-2-ylphenoxy)acetohydrazide
CID 968935
2-hydroxy-2-methyl-3-[(4-propan-2-ylphenyl)carbamoylamino]propanoic acid
CID 66174047
N-(2-aminoethyl)-2-(4-propan-2-ylphenoxy)acetamide;hydrochloride
CID 119384409
2-(4-chlorophenoxy)-N-(2-hydroxy-2-methylpropyl)acetamide
CID 65110229
1-N',9-N'-bis[2-(4-propan-2-ylphenoxy)acetyl]nonanedihydrazide
CID 4506492
2-hydroxy-2-methyl-3-[[2-(2-methylphenoxy)acetyl]amino]propanoic acid
CID 66174192
N-[(4-methoxyphenyl)methyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 1122194

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-3-[[2-(4-propan-2-ylphenoxy)acetyl]amino]propanoic acid?
The IUPAC name of 2-hydroxy-2-methyl-3-[[2-(4-propan-2-ylphenoxy)acetyl]amino]propanoic acid (CID 66172185) is 2-hydroxy-2-methyl-3-[[2-(4-propan-2-ylphenoxy)acetyl]amino]propanoic acid.
What is the SMILES notation for 2-hydroxy-2-methyl-3-[[2-(4-propan-2-ylphenoxy)acetyl]amino]propanoic acid?
The canonical SMILES for 2-hydroxy-2-methyl-3-[[2-(4-propan-2-ylphenoxy)acetyl]amino]propanoic acid is CC(C)c1ccc(OCC(=O)NCC(C)(O)C(=O)O)cc1.
What is the InChIKey of 2-hydroxy-2-methyl-3-[[2-(4-propan-2-ylphenoxy)acetyl]amino]propanoic acid?
The InChIKey is FXXWVSOKEICAFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO5/c1-10(2)11-4-6-12(7-5-11)21-8-13(17)16-9-15(3,20)14(18)19/h4-7,10,20H,8-9H2,1-3H3,(H,16,17)(H,18,19).
What are the key properties of 2-hydroxy-2-methyl-3-[[2-(4-propan-2-ylphenoxy)acetyl]amino]propanoic acid?
2-hydroxy-2-methyl-3-[[2-(4-propan-2-ylphenoxy)acetyl]amino]propanoic acid has a molecular weight of 295.33 g/mol, XLogP of 1.14, 7 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-(4-propan-2-ylphenoxy)acetyl]amino]propanoic acid is sourced from PubChem (CID 66172185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).