3-[[2-(2-tert-butylphenoxy)acetyl]amino]butanoic acid

C16H23NO4 — CID 119221548

IUPAC3-[[2-(2-tert-butylphenoxy)acetyl]amino]butanoic acid
SMILESCC(CC(=O)O)NC(=O)COc1ccccc1C(C)(C)C
InChIInChI=1S/C16H23NO4/c1-11(9-15(19)20)17-14(18)10-21-13-8-6-5-7-12(13)16(2,3)4/h5-8,11H,9-10H2,1-4H3,(H,17,18)(H,19,20)
InChIKeyROHAITOFJHGXKG-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.34
Rot. Bonds6

About 3-[[2-(2-tert-butylphenoxy)acetyl]amino]butanoic acid

3-[[2-(2-tert-butylphenoxy)acetyl]amino]butanoic acid (PubChem CID 119221548) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 3-[[2-(2-tert-butylphenoxy)acetyl]amino]butanoic acid.

Molecular Properties

Compound Name3-[[2-(2-tert-butylphenoxy)acetyl]amino]butanoic acid
PubChem CID119221548
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name3-[[2-(2-tert-butylphenoxy)acetyl]amino]butanoic acid
SMILESCC(CC(=O)O)NC(=O)COc1ccccc1C(C)(C)C
InChIInChI=1S/C16H23NO4/c1-11(9-15(19)20)17-14(18)10-21-13-8-6-5-7-12(13)16(2,3)4/h5-8,11H,9-10H2,1-4H3,(H,17,18)(H,19,20)
InChIKeyROHAITOFJHGXKG-UHFFFAOYSA-N
XLogP2.34
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(2-bromophenoxy)acetyl]amino]butanoic acid
CID 120522773
2-(2-tert-butylphenoxy)-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide
CID 31183674
ethyl 2-[[2-(2-tert-butylphenoxy)acetyl]amino]-3-phenylpropanoate
CID 43877668
2-[[2-(2-tert-butylphenoxy)acetyl]amino]acetate
CID 9170941
2-(2-tert-butylphenoxy)acetamide
CID 17051379
6-[[2-(2-tert-butylphenoxy)acetyl]amino]hexanoic acid
CID 53263967
2-(2-tert-butylphenoxy)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]acetamide
CID 24550111
N-(1-amino-2-methylpropan-2-yl)-2-(2-tert-butylphenoxy)acetamide
CID 119523420
4-[2-[2-(2-tert-butylphenoxy)acetyl]hydrazinyl]-4-oxo-N-phenylbutanamide
CID 17050893
N-[3-[[2-(2-tert-butylphenoxy)acetyl]amino]phenyl]-2-methylpropanamide
CID 17189278
N-butyl-2-(2-tert-butylphenoxy)acetamide
CID 7676560
ethyl (2S)-2-[[2-(2-tert-butylphenoxy)acetyl]amino]-3-(3,4-dihydroxyphenyl)propanoate
CID 100687131

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-tert-butylphenoxy)acetyl]amino]butanoic acid?
The IUPAC name of 3-[[2-(2-tert-butylphenoxy)acetyl]amino]butanoic acid (CID 119221548) is 3-[[2-(2-tert-butylphenoxy)acetyl]amino]butanoic acid.
What is the SMILES notation for 3-[[2-(2-tert-butylphenoxy)acetyl]amino]butanoic acid?
The canonical SMILES for 3-[[2-(2-tert-butylphenoxy)acetyl]amino]butanoic acid is CC(CC(=O)O)NC(=O)COc1ccccc1C(C)(C)C.
What is the InChIKey of 3-[[2-(2-tert-butylphenoxy)acetyl]amino]butanoic acid?
The InChIKey is ROHAITOFJHGXKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-11(9-15(19)20)17-14(18)10-21-13-8-6-5-7-12(13)16(2,3)4/h5-8,11H,9-10H2,1-4H3,(H,17,18)(H,19,20).
What are the key properties of 3-[[2-(2-tert-butylphenoxy)acetyl]amino]butanoic acid?
3-[[2-(2-tert-butylphenoxy)acetyl]amino]butanoic acid has a molecular weight of 293.36 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-tert-butylphenoxy)acetyl]amino]butanoic acid is sourced from PubChem (CID 119221548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).