2-methyl-3-[[2-(4-methylphenoxy)acetyl]-propylamino]propanoic acid

C16H23NO4 — CID 82325608

IUPAC2-methyl-3-[[2-(4-methylphenoxy)acetyl]-propylamino]propanoic acid
SMILESCCCN(CC(C)C(=O)O)C(=O)COc1ccc(C)cc1
InChIInChI=1S/C16H23NO4/c1-4-9-17(10-13(3)16(19)20)15(18)11-21-14-7-5-12(2)6-8-14/h5-8,13H,4,9-11H2,1-3H3,(H,19,20)
InChIKeyWBDVNIIFSUSTGS-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.33
Rot. Bonds8

About 2-methyl-3-[[2-(4-methylphenoxy)acetyl]-propylamino]propanoic acid

2-methyl-3-[[2-(4-methylphenoxy)acetyl]-propylamino]propanoic acid (PubChem CID 82325608) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 2-methyl-3-[[2-(4-methylphenoxy)acetyl]-propylamino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[[2-(4-methylphenoxy)acetyl]-propylamino]propanoic acid
PubChem CID82325608
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name2-methyl-3-[[2-(4-methylphenoxy)acetyl]-propylamino]propanoic acid
SMILESCCCN(CC(C)C(=O)O)C(=O)COc1ccc(C)cc1
InChIInChI=1S/C16H23NO4/c1-4-9-17(10-13(3)16(19)20)15(18)11-21-14-7-5-12(2)6-8-14/h5-8,13H,4,9-11H2,1-3H3,(H,19,20)
InChIKeyWBDVNIIFSUSTGS-UHFFFAOYSA-N
XLogP2.33
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(4-methylphenoxy)acetyl]-propylamino]propanoic acid
CID 82325601
3-[ethyl-[3-(4-methylphenoxy)propanoyl]amino]-2-methylpropanoic acid
CID 62827385
2-methyl-3-[(2-phenylacetyl)-propylamino]propanoic acid
CID 82325138
3-[butan-2-yl-[2-(4-methylphenoxy)ethyl]amino]-2-methylpropanoic acid
CID 82329442
2-[methyl-[2-(4-methylphenoxy)acetyl]amino]propanoic acid
CID 62626374
2-(4-methylphenoxy)-N-propyl-N-(thiolan-2-ylmethyl)acetamide
CID 123678594
2-methyl-3-[(4-methylphenyl)methyl-propanoylamino]propanoic acid
CID 82323323
3-[[2-(2-chloro-5-methylphenoxy)acetyl]-ethylamino]-2-methylpropanoic acid
CID 62826476
2-(4-methylphenoxy)-N-propyl-N-(1-thiaspiro[4.8]tridecan-2-ylmethyl)acetamide
CID 123999214
2-methyl-3-[methyl-[2-[(4-methylphenyl)methyl-propylamino]-2-oxoethyl]amino]propanoic acid
CID 122120137
4-[2-(dipropylamino)-2-oxoethoxy]benzamide
CID 8566203
2-(4-aminophenoxy)-N-ethyl-N-propylacetamide
CID 61094181

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[[2-(4-methylphenoxy)acetyl]-propylamino]propanoic acid?
The IUPAC name of 2-methyl-3-[[2-(4-methylphenoxy)acetyl]-propylamino]propanoic acid (CID 82325608) is 2-methyl-3-[[2-(4-methylphenoxy)acetyl]-propylamino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[[2-(4-methylphenoxy)acetyl]-propylamino]propanoic acid?
The canonical SMILES for 2-methyl-3-[[2-(4-methylphenoxy)acetyl]-propylamino]propanoic acid is CCCN(CC(C)C(=O)O)C(=O)COc1ccc(C)cc1.
What is the InChIKey of 2-methyl-3-[[2-(4-methylphenoxy)acetyl]-propylamino]propanoic acid?
The InChIKey is WBDVNIIFSUSTGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-4-9-17(10-13(3)16(19)20)15(18)11-21-14-7-5-12(2)6-8-14/h5-8,13H,4,9-11H2,1-3H3,(H,19,20).
What are the key properties of 2-methyl-3-[[2-(4-methylphenoxy)acetyl]-propylamino]propanoic acid?
2-methyl-3-[[2-(4-methylphenoxy)acetyl]-propylamino]propanoic acid has a molecular weight of 293.36 g/mol, XLogP of 2.33, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[[2-(4-methylphenoxy)acetyl]-propylamino]propanoic acid is sourced from PubChem (CID 82325608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).