2-[3-(2-methylphenoxy)propanoyl-(2-methylpropyl)amino]acetic acid

C16H23NO4 — CID 62034091

IUPAC2-[3-(2-methylphenoxy)propanoyl-(2-methylpropyl)amino]acetic acid
SMILESCc1ccccc1OCCC(=O)N(CC(=O)O)CC(C)C
InChIInChI=1S/C16H23NO4/c1-12(2)10-17(11-16(19)20)15(18)8-9-21-14-7-5-4-6-13(14)3/h4-7,12H,8-11H2,1-3H3,(H,19,20)
InChIKeyVNHJUSGFKKMDSX-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.33
Rot. Bonds8

About 2-[3-(2-methylphenoxy)propanoyl-(2-methylpropyl)amino]acetic acid

2-[3-(2-methylphenoxy)propanoyl-(2-methylpropyl)amino]acetic acid (PubChem CID 62034091) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 2-[3-(2-methylphenoxy)propanoyl-(2-methylpropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[3-(2-methylphenoxy)propanoyl-(2-methylpropyl)amino]acetic acid
PubChem CID62034091
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name2-[3-(2-methylphenoxy)propanoyl-(2-methylpropyl)amino]acetic acid
SMILESCc1ccccc1OCCC(=O)N(CC(=O)O)CC(C)C
InChIInChI=1S/C16H23NO4/c1-12(2)10-17(11-16(19)20)15(18)8-9-21-14-7-5-4-6-13(14)3/h4-7,12H,8-11H2,1-3H3,(H,19,20)
InChIKeyVNHJUSGFKKMDSX-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

2-[butan-2-yl-[3-(2-methylphenoxy)propanoyl]amino]acetic acid
CID 60828723
2-[3-(2-methylphenyl)propanoyl-(2-methylpropyl)amino]acetic acid
CID 63064470
2-[2-methylpropyl(4-phenoxybutanoyl)amino]acetic acid
CID 62033173
2-[4-(2-methylphenoxy)butanoyl-propan-2-ylamino]acetic acid
CID 60832572
2-[4-(2-methylphenoxy)butanoyl-propylamino]acetic acid
CID 61007178
2-[3-(2,3-dimethylphenoxy)propanoyl-ethylamino]acetic acid
CID 61022363
2-[2-(2-methylphenoxy)ethyl-propan-2-ylamino]acetic acid
CID 60838634
2-[carboxymethyl-[3-(2-chlorophenoxy)propanoyl]amino]acetic acid
CID 63651815
3-methyl-5-[methyl-[2-(2-methylphenoxy)ethyl]amino]-5-oxopentanoic acid
CID 62964902
3-[3-(2-methylphenoxy)propanoylamino]butanoic acid
CID 43240704
2-[3-(2-chlorophenoxy)propanoyl-propylamino]acetic acid
CID 61011692
7-(2-methylphenoxy)heptanoic acid
CID 92930643

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methylphenoxy)propanoyl-(2-methylpropyl)amino]acetic acid?
The IUPAC name of 2-[3-(2-methylphenoxy)propanoyl-(2-methylpropyl)amino]acetic acid (CID 62034091) is 2-[3-(2-methylphenoxy)propanoyl-(2-methylpropyl)amino]acetic acid.
What is the SMILES notation for 2-[3-(2-methylphenoxy)propanoyl-(2-methylpropyl)amino]acetic acid?
The canonical SMILES for 2-[3-(2-methylphenoxy)propanoyl-(2-methylpropyl)amino]acetic acid is Cc1ccccc1OCCC(=O)N(CC(=O)O)CC(C)C.
What is the InChIKey of 2-[3-(2-methylphenoxy)propanoyl-(2-methylpropyl)amino]acetic acid?
The InChIKey is VNHJUSGFKKMDSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-12(2)10-17(11-16(19)20)15(18)8-9-21-14-7-5-4-6-13(14)3/h4-7,12H,8-11H2,1-3H3,(H,19,20).
What are the key properties of 2-[3-(2-methylphenoxy)propanoyl-(2-methylpropyl)amino]acetic acid?
2-[3-(2-methylphenoxy)propanoyl-(2-methylpropyl)amino]acetic 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-[3-(2-methylphenoxy)propanoyl-(2-methylpropyl)amino]acetic acid is sourced from PubChem (CID 62034091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).