3-[[2-(2,5-dimethylphenoxy)acetyl]amino]-2-hydroxypropanoic acid

C13H17NO5 — CID 66168097

IUPAC3-[[2-(2,5-dimethylphenoxy)acetyl]amino]-2-hydroxypropanoic acid
SMILESCc1ccc(C)c(OCC(=O)NCC(O)C(=O)O)c1
InChIInChI=1S/C13H17NO5/c1-8-3-4-9(2)11(5-8)19-7-12(16)14-6-10(15)13(17)18/h3-5,10,15H,6-7H2,1-2H3,(H,14,16)(H,17,18)
InChIKeyOOUNEOOSJMQNMX-UHFFFAOYSA-N
MW267.28 g/mol
LogP0.24
Rot. Bonds6

About 3-[[2-(2,5-dimethylphenoxy)acetyl]amino]-2-hydroxypropanoic acid

3-[[2-(2,5-dimethylphenoxy)acetyl]amino]-2-hydroxypropanoic acid (PubChem CID 66168097) has the molecular formula C13H17NO5 and a molecular weight of 267.28 g/mol. Its IUPAC name is 3-[[2-(2,5-dimethylphenoxy)acetyl]amino]-2-hydroxypropanoic acid.

Molecular Properties

Compound Name3-[[2-(2,5-dimethylphenoxy)acetyl]amino]-2-hydroxypropanoic acid
PubChem CID66168097
Molecular FormulaC13H17NO5
Molecular Weight267.28 g/mol
Exact Mass267.11
IUPAC Name3-[[2-(2,5-dimethylphenoxy)acetyl]amino]-2-hydroxypropanoic acid
SMILESCc1ccc(C)c(OCC(=O)NCC(O)C(=O)O)c1
InChIInChI=1S/C13H17NO5/c1-8-3-4-9(2)11(5-8)19-7-12(16)14-6-10(15)13(17)18/h3-5,10,15H,6-7H2,1-2H3,(H,14,16)(H,17,18)
InChIKeyOOUNEOOSJMQNMX-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-(2,5-dimethylphenoxy)-N-(2-hydroxypropyl)acetamide
CID 43391088
(2S)-2-hydroxy-3-[[2-(2,4,6-trimethylphenoxy)acetyl]amino]propanoic acid
CID 107832946
2-(2,5-dimethylphenoxy)-N-[8-[[2-(2,5-dimethylphenoxy)acetyl]amino]octyl]acetamide
CID 17233348
(2S)-2-hydroxy-3-[[2-(2,4,5-trichlorophenoxy)acetyl]amino]propanoic acid
CID 107833784
2-(2,5-dimethylphenoxy)-N-(2-ethylhexyl)acetamide
CID 19167363
(2S)-2-[[2-(2,5-dimethylphenoxy)acetyl]amino]-3-methylbutanoic acid
CID 9157150
3-[[2-(2,5-dimethylphenoxy)acetyl]amino]-2,2-dimethylpropanoic acid
CID 81368937
N-(3-aminobutyl)-2-(2,5-dimethylphenoxy)acetamide;hydrochloride
CID 119497986
2-(2,5-dimethylphenoxy)-N-heptylacetamide
CID 3468528
N'-(2-chloroacetyl)-2-(2,5-dimethylphenoxy)acetohydrazide
CID 166414788
N'-[2-(2,5-dimethylphenoxy)acetyl]-2-methoxyacetohydrazide
CID 47102429
N-[3-(dimethylamino)propyl]-2-(2,5-dimethylphenoxy)acetamide;hydrochloride
CID 163329160

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2,5-dimethylphenoxy)acetyl]amino]-2-hydroxypropanoic acid?
The IUPAC name of 3-[[2-(2,5-dimethylphenoxy)acetyl]amino]-2-hydroxypropanoic acid (CID 66168097) is 3-[[2-(2,5-dimethylphenoxy)acetyl]amino]-2-hydroxypropanoic acid.
What is the SMILES notation for 3-[[2-(2,5-dimethylphenoxy)acetyl]amino]-2-hydroxypropanoic acid?
The canonical SMILES for 3-[[2-(2,5-dimethylphenoxy)acetyl]amino]-2-hydroxypropanoic acid is Cc1ccc(C)c(OCC(=O)NCC(O)C(=O)O)c1.
What is the InChIKey of 3-[[2-(2,5-dimethylphenoxy)acetyl]amino]-2-hydroxypropanoic acid?
The InChIKey is OOUNEOOSJMQNMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO5/c1-8-3-4-9(2)11(5-8)19-7-12(16)14-6-10(15)13(17)18/h3-5,10,15H,6-7H2,1-2H3,(H,14,16)(H,17,18).
What are the key properties of 3-[[2-(2,5-dimethylphenoxy)acetyl]amino]-2-hydroxypropanoic acid?
3-[[2-(2,5-dimethylphenoxy)acetyl]amino]-2-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 3-[[2-(2,5-dimethylphenoxy)acetyl]amino]-2-hydroxypropanoic acid is sourced from PubChem (CID 66168097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).