2-[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]amino]acetic acid

C14H19NO4 — CID 9170871

IUPAC2-[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]amino]acetic acid
SMILESCc1cc(OCC(=O)NCC(=O)O)ccc1C(C)C
InChIInChI=1S/C14H19NO4/c1-9(2)12-5-4-11(6-10(12)3)19-8-13(16)15-7-14(17)18/h4-6,9H,7-8H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyBDDGDZXNQWNROL-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.70
Rot. Bonds6

About 2-[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]amino]acetic acid

2-[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]amino]acetic acid (PubChem CID 9170871) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]amino]acetic acid
PubChem CID9170871
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name2-[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]amino]acetic acid
SMILESCc1cc(OCC(=O)NCC(=O)O)ccc1C(C)C
InChIInChI=1S/C14H19NO4/c1-9(2)12-5-4-11(6-10(12)3)19-8-13(16)15-7-14(17)18/h4-6,9H,7-8H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyBDDGDZXNQWNROL-UHFFFAOYSA-N
XLogP1.70
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 ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(3-methyl-4-propan-2-ylphenoxy)acetate
CID 8806310
N-[2-(4-methylphenoxy)ethyl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 19174758
2-[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 7535879
2-[[2-(4-propan-2-ylphenoxy)acetyl]amino]acetic acid
CID 9157069
N-(1-hydroxypropan-2-yl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 78857319
N-cyclopropyl-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 78759925
N-cyclopentyl-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 134007945
N-[(3-fluorophenyl)methyl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 46590053
3-(3-methyl-4-propan-2-ylphenoxy)propanoic acid
CID 16773331
(2R)-3-methyl-2-[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]amino]butanoate
CID 9157229
2-(3-methyl-4-propan-2-ylphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 41099396
N-(3-methylphenyl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 729999

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]amino]acetic acid (CID 9170871) is 2-[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]amino]acetic acid is Cc1cc(OCC(=O)NCC(=O)O)ccc1C(C)C.
What is the InChIKey of 2-[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]amino]acetic acid?
The InChIKey is BDDGDZXNQWNROL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-9(2)12-5-4-11(6-10(12)3)19-8-13(16)15-7-14(17)18/h4-6,9H,7-8H2,1-3H3,(H,15,16)(H,17,18).
What are the key properties of 2-[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]amino]acetic acid?
2-[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]amino]acetic acid has a molecular weight of 265.31 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]amino]acetic acid is sourced from PubChem (CID 9170871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).