2-[2-[1-(tert-butylamino)-1-oxopropan-2-yl]oxyphenyl]acetic acid

C15H21NO4 — CID 80741308

IUPAC2-[2-[1-(tert-butylamino)-1-oxopropan-2-yl]oxyphenyl]acetic acid
SMILESCC(Oc1ccccc1CC(=O)O)C(=O)NC(C)(C)C
InChIInChI=1S/C15H21NO4/c1-10(14(19)16-15(2,3)4)20-12-8-6-5-7-11(12)9-13(17)18/h5-8,10H,9H2,1-4H3,(H,16,19)(H,17,18)
InChIKeyKQKAMSOCWGQGEO-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.00
Rot. Bonds5

About 2-[2-[1-(tert-butylamino)-1-oxopropan-2-yl]oxyphenyl]acetic acid

2-[2-[1-(tert-butylamino)-1-oxopropan-2-yl]oxyphenyl]acetic acid (PubChem CID 80741308) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[2-[1-(tert-butylamino)-1-oxopropan-2-yl]oxyphenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[1-(tert-butylamino)-1-oxopropan-2-yl]oxyphenyl]acetic acid
PubChem CID80741308
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name2-[2-[1-(tert-butylamino)-1-oxopropan-2-yl]oxyphenyl]acetic acid
SMILESCC(Oc1ccccc1CC(=O)O)C(=O)NC(C)(C)C
InChIInChI=1S/C15H21NO4/c1-10(14(19)16-15(2,3)4)20-12-8-6-5-7-11(12)9-13(17)18/h5-8,10H,9H2,1-4H3,(H,16,19)(H,17,18)
InChIKeyKQKAMSOCWGQGEO-UHFFFAOYSA-N
XLogP2.00
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(3,3-dimethylbutan-2-yloxy)phenyl]acetic acid
CID 117054311
2-[2-(1-amino-1-oxopropan-2-yl)oxyphenyl]acetic acid
CID 80741605
2-[2-[1-oxo-1-(pentylamino)propan-2-yl]oxyphenyl]acetic acid
CID 80722346
N-tert-butyl-2-[[(2S)-2-(2-ethylphenoxy)propanoyl]amino]benzamide
CID 92683729
(2S)-2-(2-ethylphenoxy)-N-methylpropanamide
CID 28577058
2-[2-[(tert-butylamino)methyl]phenoxy]-N-propylpropanamide
CID 63062536
2-[2-(2-bromophenoxy)propanoylamino]-2-methylbutanoic acid
CID 119199829
2-(2-cyanophenoxy)-N-(3-hydroxy-2-methylbutan-2-yl)propanamide
CID 115884445
N-tert-butyl-2-[3-[(1R)-1-hydroxyethyl]phenoxy]propanamide
CID 78933960
(2S)-N-[(1S)-1-(4-tert-butylphenyl)ethyl]-2-(2-ethylphenoxy)propanamide
CID 30397880
2-[2-[1-(methylamino)ethyl]phenoxy]-N-(2-methylbutan-2-yl)propanamide
CID 43279519
5-bromo-2-[1-(tert-butylamino)-1-oxopropan-2-yl]oxybenzoic acid
CID 43088976

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(tert-butylamino)-1-oxopropan-2-yl]oxyphenyl]acetic acid?
The IUPAC name of 2-[2-[1-(tert-butylamino)-1-oxopropan-2-yl]oxyphenyl]acetic acid (CID 80741308) is 2-[2-[1-(tert-butylamino)-1-oxopropan-2-yl]oxyphenyl]acetic acid.
What is the SMILES notation for 2-[2-[1-(tert-butylamino)-1-oxopropan-2-yl]oxyphenyl]acetic acid?
The canonical SMILES for 2-[2-[1-(tert-butylamino)-1-oxopropan-2-yl]oxyphenyl]acetic acid is CC(Oc1ccccc1CC(=O)O)C(=O)NC(C)(C)C.
What is the InChIKey of 2-[2-[1-(tert-butylamino)-1-oxopropan-2-yl]oxyphenyl]acetic acid?
The InChIKey is KQKAMSOCWGQGEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-10(14(19)16-15(2,3)4)20-12-8-6-5-7-11(12)9-13(17)18/h5-8,10H,9H2,1-4H3,(H,16,19)(H,17,18).
What are the key properties of 2-[2-[1-(tert-butylamino)-1-oxopropan-2-yl]oxyphenyl]acetic acid?
2-[2-[1-(tert-butylamino)-1-oxopropan-2-yl]oxyphenyl]acetic acid has a molecular weight of 279.34 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-(tert-butylamino)-1-oxopropan-2-yl]oxyphenyl]acetic acid is sourced from PubChem (CID 80741308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).