2-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]acetic acid

C12H15NO4 — CID 43241710

IUPAC2-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]acetic acid
SMILESCOc1ccc(C)cc1CC(=O)NCC(=O)O
InChIInChI=1S/C12H15NO4/c1-8-3-4-10(17-2)9(5-8)6-11(14)13-7-12(15)16/h3-5H,6-7H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyCOXJRDUQDZWIOQ-UHFFFAOYSA-N
MW237.25 g/mol
LogP0.75
Rot. Bonds5

About 2-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]acetic acid

2-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]acetic acid (PubChem CID 43241710) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is 2-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]acetic acid
PubChem CID43241710
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name2-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]acetic acid
SMILESCOc1ccc(C)cc1CC(=O)NCC(=O)O
InChIInChI=1S/C12H15NO4/c1-8-3-4-10(17-2)9(5-8)6-11(14)13-7-12(15)16/h3-5H,6-7H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyCOXJRDUQDZWIOQ-UHFFFAOYSA-N
XLogP0.75
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-methoxy-5-methylphenyl)methylamino]-3-oxopropanoic acid
CID 115163375
2-(2-methoxy-5-methylphenyl)-N-methylacetamide
CID 39969431
N-[(2-methoxy-5-methylphenyl)methyl]acetamide
CID 110779845
2-(2-methoxy-5-methylphenyl)-N-[(2-methylphenyl)methyl]acetamide
CID 9184395
3-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]-3-methylbutanoic acid
CID 64670700
cyclohexane;ethane;5-fluoro-3-[[2-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]acetyl]amino]-4-oxopentanoic acid
CID 142928564
N-(3-hydroxy-2-methylpropyl)-2-(2-methoxy-5-methylphenyl)acetamide
CID 65037014
2-[[2-[[2-(2-methoxyphenyl)acetyl]amino]acetyl]amino]acetic acid
CID 43387619
methyl 4-[[[2-(2-methoxy-5-methylphenyl)acetyl]amino]methyl]benzoate
CID 18106700
2-chloro-N-[(2-methoxy-5-methylphenyl)methyl]acetamide
CID 82128305
2-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]butanoic acid
CID 43388197
N-ethyl-2-[(2-methoxy-5-methylphenyl)methylamino]acetamide
CID 43406781

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]acetic acid (CID 43241710) is 2-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]acetic acid is COc1ccc(C)cc1CC(=O)NCC(=O)O.
What is the InChIKey of 2-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]acetic acid?
The InChIKey is COXJRDUQDZWIOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-8-3-4-10(17-2)9(5-8)6-11(14)13-7-12(15)16/h3-5H,6-7H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 2-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]acetic acid?
2-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]acetic acid has a molecular weight of 237.25 g/mol, XLogP of 0.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]acetic acid is sourced from PubChem (CID 43241710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).