3-[2-(2-methylphenoxy)butanoylamino]propanoic acid

C14H19NO4 — CID 119351050

IUPAC3-[2-(2-methylphenoxy)butanoylamino]propanoic acid
SMILESCCC(Oc1ccccc1C)C(=O)NCCC(=O)O
InChIInChI=1S/C14H19NO4/c1-3-11(14(18)15-9-8-13(16)17)19-12-7-5-4-6-10(12)2/h4-7,11H,3,8-9H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyLGECAKATJZEHQL-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.74
Rot. Bonds7

About 3-[2-(2-methylphenoxy)butanoylamino]propanoic acid

3-[2-(2-methylphenoxy)butanoylamino]propanoic acid (PubChem CID 119351050) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 3-[2-(2-methylphenoxy)butanoylamino]propanoic acid.

Molecular Properties

Compound Name3-[2-(2-methylphenoxy)butanoylamino]propanoic acid
PubChem CID119351050
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name3-[2-(2-methylphenoxy)butanoylamino]propanoic acid
SMILESCCC(Oc1ccccc1C)C(=O)NCCC(=O)O
InChIInChI=1S/C14H19NO4/c1-3-11(14(18)15-9-8-13(16)17)19-12-7-5-4-6-10(12)2/h4-7,11H,3,8-9H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyLGECAKATJZEHQL-UHFFFAOYSA-N
XLogP1.74
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(2-methylphenoxy)butanoylamino]butanoic acid
CID 119352556
2-(2-methylphenoxy)-N-propylbutanamide
CID 43909851
(2S)-N-butyl-2-(2-methylphenoxy)butanamide
CID 30398295
N-[3-(methylamino)propyl]-2-(2-methylphenoxy)butanamide;hydrochloride
CID 119434352
2-(2-methylphenoxy)-N-[2-[2-(2-methylphenoxy)butanoylamino]phenyl]butanamide
CID 4932214
(2R)-2-(2-methylphenoxy)-N-[3-(4-methylphenyl)propyl]butanamide
CID 93487721
ethane;(2R)-2-(2-methylphenoxy)butanoic acid
CID 143919968
4-[2-(2-chlorophenoxy)butanoylamino]butanoic acid
CID 119352786
N-[(2-ethoxyphenyl)methyl]-2-(2-methylphenoxy)butanamide
CID 53284919
(2S)-N-[(2-ethoxyphenyl)methyl]-2-(2-methylphenoxy)butanamide
CID 92682211
N'-(2,2-diphenylacetyl)-2-(2-methylphenoxy)butanehydrazide
CID 4932039
2-(2-methylphenoxy)-N-(1-phenylpropyl)butanamide
CID 17328056

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methylphenoxy)butanoylamino]propanoic acid?
The IUPAC name of 3-[2-(2-methylphenoxy)butanoylamino]propanoic acid (CID 119351050) is 3-[2-(2-methylphenoxy)butanoylamino]propanoic acid.
What is the SMILES notation for 3-[2-(2-methylphenoxy)butanoylamino]propanoic acid?
The canonical SMILES for 3-[2-(2-methylphenoxy)butanoylamino]propanoic acid is CCC(Oc1ccccc1C)C(=O)NCCC(=O)O.
What is the InChIKey of 3-[2-(2-methylphenoxy)butanoylamino]propanoic acid?
The InChIKey is LGECAKATJZEHQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-3-11(14(18)15-9-8-13(16)17)19-12-7-5-4-6-10(12)2/h4-7,11H,3,8-9H2,1-2H3,(H,15,18)(H,16,17).
What are the key properties of 3-[2-(2-methylphenoxy)butanoylamino]propanoic acid?
3-[2-(2-methylphenoxy)butanoylamino]propanoic acid has a molecular weight of 265.31 g/mol, XLogP of 1.74, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methylphenoxy)butanoylamino]propanoic acid is sourced from PubChem (CID 119351050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).