methyl 2-hydroxy-3-[[2-(3-propan-2-ylphenoxy)acetyl]amino]propanoate

C15H21NO5 — CID 103957835

IUPACmethyl 2-hydroxy-3-[[2-(3-propan-2-ylphenoxy)acetyl]amino]propanoate
SMILESCOC(=O)C(O)CNC(=O)COc1cccc(C(C)C)c1
InChIInChI=1S/C15H21NO5/c1-10(2)11-5-4-6-12(7-11)21-9-14(18)16-8-13(17)15(19)20-3/h4-7,10,13,17H,8-9H2,1-3H3,(H,16,18)
InChIKeyPJAAHXFAUXZIBG-UHFFFAOYSA-N
MW295.34 g/mol
LogP0.84
Rot. Bonds7

About methyl 2-hydroxy-3-[[2-(3-propan-2-ylphenoxy)acetyl]amino]propanoate

methyl 2-hydroxy-3-[[2-(3-propan-2-ylphenoxy)acetyl]amino]propanoate (PubChem CID 103957835) has the molecular formula C15H21NO5 and a molecular weight of 295.34 g/mol. Its IUPAC name is methyl 2-hydroxy-3-[[2-(3-propan-2-ylphenoxy)acetyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 2-hydroxy-3-[[2-(3-propan-2-ylphenoxy)acetyl]amino]propanoate
PubChem CID103957835
Molecular FormulaC15H21NO5
Molecular Weight295.34 g/mol
Exact Mass295.14
IUPAC Namemethyl 2-hydroxy-3-[[2-(3-propan-2-ylphenoxy)acetyl]amino]propanoate
SMILESCOC(=O)C(O)CNC(=O)COc1cccc(C(C)C)c1
InChIInChI=1S/C15H21NO5/c1-10(2)11-5-4-6-12(7-11)21-9-14(18)16-8-13(17)15(19)20-3/h4-7,10,13,17H,8-9H2,1-3H3,(H,16,18)
InChIKeyPJAAHXFAUXZIBG-UHFFFAOYSA-N
XLogP0.84
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-propan-2-ylphenoxy)-N-propylacetamide
CID 60624182
N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(3-propan-2-ylphenoxy)acetamide
CID 111441664
ethyl 2-[[2-(3-propan-2-ylphenoxy)acetyl]amino]acetate
CID 60812030
N',N'-dimethyl-2-(3-propan-2-ylphenoxy)acetohydrazide
CID 116820828
N-(cyanomethyl)-2-[3-[(1R)-1-hydroxyethyl]phenoxy]acetamide
CID 63365692
2-[3-[(1S)-1-aminoethyl]phenoxy]-N-(cyanomethyl)acetamide
CID 63367234
N-cyclopropyl-2-[[2-(3-propan-2-ylphenoxy)acetyl]amino]acetamide
CID 46446393
N-[(2-chlorophenyl)methyl]-2-(3-propan-2-ylphenoxy)acetamide
CID 7893515
2-[3-[(1S)-1-hydroxyethyl]phenoxy]-N-prop-2-ynylacetamide
CID 78933475
2-[3-[(1R)-1-hydroxyethyl]phenoxy]-N-prop-2-ynylacetamide
CID 55188631
2-[3-(1-hydroxyethyl)phenoxy]-N-(3-methoxypropyl)acetamide
CID 61486589
N-[3-(aminomethyl)pentan-3-yl]-2-(3-propan-2-ylphenoxy)acetamide
CID 119571885

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-3-[[2-(3-propan-2-ylphenoxy)acetyl]amino]propanoate?
The IUPAC name of methyl 2-hydroxy-3-[[2-(3-propan-2-ylphenoxy)acetyl]amino]propanoate (CID 103957835) is methyl 2-hydroxy-3-[[2-(3-propan-2-ylphenoxy)acetyl]amino]propanoate.
What is the SMILES notation for methyl 2-hydroxy-3-[[2-(3-propan-2-ylphenoxy)acetyl]amino]propanoate?
The canonical SMILES for methyl 2-hydroxy-3-[[2-(3-propan-2-ylphenoxy)acetyl]amino]propanoate is COC(=O)C(O)CNC(=O)COc1cccc(C(C)C)c1.
What is the InChIKey of methyl 2-hydroxy-3-[[2-(3-propan-2-ylphenoxy)acetyl]amino]propanoate?
The InChIKey is PJAAHXFAUXZIBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO5/c1-10(2)11-5-4-6-12(7-11)21-9-14(18)16-8-13(17)15(19)20-3/h4-7,10,13,17H,8-9H2,1-3H3,(H,16,18).
What are the key properties of methyl 2-hydroxy-3-[[2-(3-propan-2-ylphenoxy)acetyl]amino]propanoate?
methyl 2-hydroxy-3-[[2-(3-propan-2-ylphenoxy)acetyl]amino]propanoate has a molecular weight of 295.34 g/mol, XLogP of 0.84, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-3-[[2-(3-propan-2-ylphenoxy)acetyl]amino]propanoate is sourced from PubChem (CID 103957835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).