(2R)-2-[3-(2,5-dimethylphenoxy)propanoylamino]propanoic acid

C14H19NO4 — CID 54991126

IUPAC(2R)-2-[3-(2,5-dimethylphenoxy)propanoylamino]propanoic acid
SMILESCc1ccc(C)c(OCCC(=O)N[C@H](C)C(=O)O)c1
InChIInChI=1S/C14H19NO4/c1-9-4-5-10(2)12(8-9)19-7-6-13(16)15-11(3)14(17)18/h4-5,8,11H,6-7H2,1-3H3,(H,15,16)(H,17,18)/t11-/m1/s1
InChIKeySPWWAPPEEHUENL-LLVKDONJSA-N
MW265.31 g/mol
LogP1.66
Rot. Bonds6

About (2R)-2-[3-(2,5-dimethylphenoxy)propanoylamino]propanoic acid

(2R)-2-[3-(2,5-dimethylphenoxy)propanoylamino]propanoic acid (PubChem CID 54991126) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is (2R)-2-[3-(2,5-dimethylphenoxy)propanoylamino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[3-(2,5-dimethylphenoxy)propanoylamino]propanoic acid
PubChem CID54991126
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name(2R)-2-[3-(2,5-dimethylphenoxy)propanoylamino]propanoic acid
SMILESCc1ccc(C)c(OCCC(=O)N[C@H](C)C(=O)O)c1
InChIInChI=1S/C14H19NO4/c1-9-4-5-10(2)12(8-9)19-7-6-13(16)15-11(3)14(17)18/h4-5,8,11H,6-7H2,1-3H3,(H,15,16)(H,17,18)/t11-/m1/s1
InChIKeySPWWAPPEEHUENL-LLVKDONJSA-N
XLogP1.66
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3R)-2-[3-(2,5-dimethylphenoxy)propanoylamino]-3-hydroxybutanoic acid
CID 104964545
(2S)-2-[5-(2,5-dimethylphenoxy)pentanoylamino]-3-methylbutanoic acid
CID 119359679
2-[3-(3,4-dimethylphenoxy)propanoylamino]propanoic acid
CID 43355237
3-(2,5-dimethylphenoxy)-N-(4-hydroxy-2-methylbutyl)propanamide
CID 66107764
(2R)-2-[3-(2,4-dimethylphenoxy)propanoylamino]-3-hydroxypropanoic acid
CID 80750754
3-(2,5-dimethylphenoxy)-N-(2,5-dimethylphenyl)propanamide
CID 26909495
3-(2,5-dimethylphenoxy)-N-propylpropanamide
CID 60637796
N-cyano-3-(2,5-dimethylphenoxy)propanamide
CID 79194357
4-methyl-2-[3-oxo-3-(propan-2-ylamino)propoxy]benzoic acid
CID 62623223
N-(2-amino-1-cyclopropylethyl)-3-(2,5-dimethylphenoxy)propanamide
CID 119614777
3-(2,5-dimethylphenoxy)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 18160079
3-(2,5-dimethylphenoxy)-N-(5-hydroxypentyl)propanamide
CID 107318602

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[3-(2,5-dimethylphenoxy)propanoylamino]propanoic acid?
The IUPAC name of (2R)-2-[3-(2,5-dimethylphenoxy)propanoylamino]propanoic acid (CID 54991126) is (2R)-2-[3-(2,5-dimethylphenoxy)propanoylamino]propanoic acid.
What is the SMILES notation for (2R)-2-[3-(2,5-dimethylphenoxy)propanoylamino]propanoic acid?
The canonical SMILES for (2R)-2-[3-(2,5-dimethylphenoxy)propanoylamino]propanoic acid is Cc1ccc(C)c(OCCC(=O)N[C@H](C)C(=O)O)c1.
What is the InChIKey of (2R)-2-[3-(2,5-dimethylphenoxy)propanoylamino]propanoic acid?
The InChIKey is SPWWAPPEEHUENL-LLVKDONJSA-N. The full InChI is InChI=1S/C14H19NO4/c1-9-4-5-10(2)12(8-9)19-7-6-13(16)15-11(3)14(17)18/h4-5,8,11H,6-7H2,1-3H3,(H,15,16)(H,17,18)/t11-/m1/s1.
What are the key properties of (2R)-2-[3-(2,5-dimethylphenoxy)propanoylamino]propanoic acid?
(2R)-2-[3-(2,5-dimethylphenoxy)propanoylamino]propanoic acid has a molecular weight of 265.31 g/mol, XLogP of 1.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[3-(2,5-dimethylphenoxy)propanoylamino]propanoic acid is sourced from PubChem (CID 54991126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).