2-[[2-(2,4-dimethylphenoxy)acetyl]amino]-3-hydroxypropanoic acid

C13H17NO5 — CID 43357584

IUPAC2-[[2-(2,4-dimethylphenoxy)acetyl]amino]-3-hydroxypropanoic acid
SMILESCc1ccc(OCC(=O)NC(CO)C(=O)O)c(C)c1
InChIInChI=1S/C13H17NO5/c1-8-3-4-11(9(2)5-8)19-7-12(16)14-10(6-15)13(17)18/h3-5,10,15H,6-7H2,1-2H3,(H,14,16)(H,17,18)
InChIKeyIGIZKSMEYFDRFY-UHFFFAOYSA-N
MW267.28 g/mol
LogP0.24
Rot. Bonds6

About 2-[[2-(2,4-dimethylphenoxy)acetyl]amino]-3-hydroxypropanoic acid

2-[[2-(2,4-dimethylphenoxy)acetyl]amino]-3-hydroxypropanoic acid (PubChem CID 43357584) has the molecular formula C13H17NO5 and a molecular weight of 267.28 g/mol. Its IUPAC name is 2-[[2-(2,4-dimethylphenoxy)acetyl]amino]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name2-[[2-(2,4-dimethylphenoxy)acetyl]amino]-3-hydroxypropanoic acid
PubChem CID43357584
Molecular FormulaC13H17NO5
Molecular Weight267.28 g/mol
Exact Mass267.11
IUPAC Name2-[[2-(2,4-dimethylphenoxy)acetyl]amino]-3-hydroxypropanoic acid
SMILESCc1ccc(OCC(=O)NC(CO)C(=O)O)c(C)c1
InChIInChI=1S/C13H17NO5/c1-8-3-4-11(9(2)5-8)19-7-12(16)14-10(6-15)13(17)18/h3-5,10,15H,6-7H2,1-2H3,(H,14,16)(H,17,18)
InChIKeyIGIZKSMEYFDRFY-UHFFFAOYSA-N
XLogP0.24
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(2,4-dimethylphenoxy)acetyl]amino]pentanoic acid
CID 43630685
(2R)-2-[3-(2,4-dimethylphenoxy)propanoylamino]-3-hydroxypropanoic acid
CID 80750754
2-(2,4-dimethylphenoxy)-N-methylacetamide
CID 965410
2-[[2-(2,3-dimethylphenoxy)acetyl]amino]-3-hydroxypropanoic acid
CID 43357623
2-(2,4-dimethylphenoxy)-N-ethylacetamide
CID 965411
(2R)-2-[[2-(2,4-dimethylphenoxy)acetyl]amino]-3-methylbutanoate
CID 9157169
methyl 2-[[2-(2,4-dimethylphenoxy)acetyl]amino]-3-methylbutanoate
CID 43406193
2-(2,4-dimethylphenoxy)-N-[1-(2,5-dimethylphenyl)ethyl]acetamide
CID 17327451
(2R)-2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-4-hydroxybutanoic acid
CID 107822760
2-(2,4-dimethylphenoxy)-N-(1-phenylpropyl)acetamide
CID 17328158
(2S)-2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]butanedioic acid
CID 112732976
(2R)-2-[[2-(2,4-difluorophenoxy)acetyl]amino]-3-hydroxypropanoic acid
CID 80749171

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,4-dimethylphenoxy)acetyl]amino]-3-hydroxypropanoic acid?
The IUPAC name of 2-[[2-(2,4-dimethylphenoxy)acetyl]amino]-3-hydroxypropanoic acid (CID 43357584) is 2-[[2-(2,4-dimethylphenoxy)acetyl]amino]-3-hydroxypropanoic acid.
What is the SMILES notation for 2-[[2-(2,4-dimethylphenoxy)acetyl]amino]-3-hydroxypropanoic acid?
The canonical SMILES for 2-[[2-(2,4-dimethylphenoxy)acetyl]amino]-3-hydroxypropanoic acid is Cc1ccc(OCC(=O)NC(CO)C(=O)O)c(C)c1.
What is the InChIKey of 2-[[2-(2,4-dimethylphenoxy)acetyl]amino]-3-hydroxypropanoic acid?
The InChIKey is IGIZKSMEYFDRFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO5/c1-8-3-4-11(9(2)5-8)19-7-12(16)14-10(6-15)13(17)18/h3-5,10,15H,6-7H2,1-2H3,(H,14,16)(H,17,18).
What are the key properties of 2-[[2-(2,4-dimethylphenoxy)acetyl]amino]-3-hydroxypropanoic acid?
2-[[2-(2,4-dimethylphenoxy)acetyl]amino]-3-hydroxypropanoic acid has a molecular weight of 267.28 g/mol, XLogP of 0.24, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,4-dimethylphenoxy)acetyl]amino]-3-hydroxypropanoic acid is sourced from PubChem (CID 43357584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).