2-[3-(2,4-dimethylphenoxy)propanoyl-methylamino]acetic acid

C14H19NO4 — CID 43356257

IUPAC2-[3-(2,4-dimethylphenoxy)propanoyl-methylamino]acetic acid
SMILESCc1ccc(OCCC(=O)N(C)CC(=O)O)c(C)c1
InChIInChI=1S/C14H19NO4/c1-10-4-5-12(11(2)8-10)19-7-6-13(16)15(3)9-14(17)18/h4-5,8H,6-7,9H2,1-3H3,(H,17,18)
InChIKeyAMQHSMAHJIAHEZ-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.62
Rot. Bonds6

About 2-[3-(2,4-dimethylphenoxy)propanoyl-methylamino]acetic acid

2-[3-(2,4-dimethylphenoxy)propanoyl-methylamino]acetic acid (PubChem CID 43356257) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[3-(2,4-dimethylphenoxy)propanoyl-methylamino]acetic acid.

Molecular Properties

Compound Name2-[3-(2,4-dimethylphenoxy)propanoyl-methylamino]acetic acid
PubChem CID43356257
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name2-[3-(2,4-dimethylphenoxy)propanoyl-methylamino]acetic acid
SMILESCc1ccc(OCCC(=O)N(C)CC(=O)O)c(C)c1
InChIInChI=1S/C14H19NO4/c1-10-4-5-12(11(2)8-10)19-7-6-13(16)15(3)9-14(17)18/h4-5,8H,6-7,9H2,1-3H3,(H,17,18)
InChIKeyAMQHSMAHJIAHEZ-UHFFFAOYSA-N
XLogP1.62
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(2,4-dimethylphenoxy)propanoyl-methylamino]propanoic acid
CID 60988844
2-[5-(2,5-dimethylphenoxy)pentanoyl-methylamino]acetic acid
CID 119172218
2-[methyl-[3-(4-methylphenoxy)propanoyl]amino]acetic acid
CID 43239733
2-[3-(2-bromo-4-chlorophenoxy)propanoyl-methylamino]acetic acid
CID 119346356
2-[4-(2,5-dimethylphenyl)butanoyl-methylamino]acetic acid
CID 98017340
2-[4-(2,4-difluorophenoxy)butanoyl-methylamino]acetic acid
CID 119172006
3-(2,5-dimethylphenoxy)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]propanamide
CID 7918580
2-[[2-(2,5-dimethylphenyl)acetyl]-methylamino]acetic acid
CID 62538496
3-(2,5-dimethylphenoxy)-N,N-dimethylpropanamide
CID 60637180
2-[2-(2,4-dimethylphenoxy)ethylamino]acetic acid
CID 94684404
1-(azocan-1-yl)-3-(2,4-dimethylphenoxy)propan-1-one
CID 55575535
3-(2,4-dimethylphenoxy)-N-piperidin-4-yl-N-propylpropanamide;hydrochloride
CID 119824893

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,4-dimethylphenoxy)propanoyl-methylamino]acetic acid?
The IUPAC name of 2-[3-(2,4-dimethylphenoxy)propanoyl-methylamino]acetic acid (CID 43356257) is 2-[3-(2,4-dimethylphenoxy)propanoyl-methylamino]acetic acid.
What is the SMILES notation for 2-[3-(2,4-dimethylphenoxy)propanoyl-methylamino]acetic acid?
The canonical SMILES for 2-[3-(2,4-dimethylphenoxy)propanoyl-methylamino]acetic acid is Cc1ccc(OCCC(=O)N(C)CC(=O)O)c(C)c1.
What is the InChIKey of 2-[3-(2,4-dimethylphenoxy)propanoyl-methylamino]acetic acid?
The InChIKey is AMQHSMAHJIAHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-10-4-5-12(11(2)8-10)19-7-6-13(16)15(3)9-14(17)18/h4-5,8H,6-7,9H2,1-3H3,(H,17,18).
What are the key properties of 2-[3-(2,4-dimethylphenoxy)propanoyl-methylamino]acetic acid?
2-[3-(2,4-dimethylphenoxy)propanoyl-methylamino]acetic acid has a molecular weight of 265.31 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,4-dimethylphenoxy)propanoyl-methylamino]acetic acid is sourced from PubChem (CID 43356257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).