2-[tert-butyl-[2-(4-hydroxyphenyl)acetyl]amino]acetic acid

C14H19NO4 — CID 79266696

IUPAC2-[tert-butyl-[2-(4-hydroxyphenyl)acetyl]amino]acetic acid
SMILESCC(C)(C)N(CC(=O)O)C(=O)Cc1ccc(O)cc1
InChIInChI=1S/C14H19NO4/c1-14(2,3)15(9-13(18)19)12(17)8-10-4-6-11(16)7-5-10/h4-7,16H,8-9H2,1-3H3,(H,18,19)
InChIKeyBATBXQDKQWCBHA-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.65
Rot. Bonds4

About 2-[tert-butyl-[2-(4-hydroxyphenyl)acetyl]amino]acetic acid

2-[tert-butyl-[2-(4-hydroxyphenyl)acetyl]amino]acetic acid (PubChem CID 79266696) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[tert-butyl-[2-(4-hydroxyphenyl)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[tert-butyl-[2-(4-hydroxyphenyl)acetyl]amino]acetic acid
PubChem CID79266696
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name2-[tert-butyl-[2-(4-hydroxyphenyl)acetyl]amino]acetic acid
SMILESCC(C)(C)N(CC(=O)O)C(=O)Cc1ccc(O)cc1
InChIInChI=1S/C14H19NO4/c1-14(2,3)15(9-13(18)19)12(17)8-10-4-6-11(16)7-5-10/h4-7,16H,8-9H2,1-3H3,(H,18,19)
InChIKeyBATBXQDKQWCBHA-UHFFFAOYSA-N
XLogP1.65
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]-tert-butylamino]acetic acid
CID 104905324
2-[tert-butyl-[1-(4-hydroxyphenyl)propan-2-yl]amino]acetic acid
CID 115496222
2-[carboxymethyl-[(4-hydroxyphenyl)methyl]amino]acetic acid
CID 23422378
2-[(4-hydroxyphenyl)methyl-methylamino]acetic acid
CID 65056465
4-[[2-(4-hydroxyphenyl)acetyl]-methylamino]butanoic acid
CID 43329651
2-(4-hydroxy-N-(2-pyridin-4-ylacetyl)anilino)acetic acid
CID 60830275
2-[tert-butyl-[2-(4-methylphenoxy)acetyl]amino]acetic acid
CID 79266539
2-[3-aminopropanoyl(tert-butyl)amino]acetic acid
CID 79268862
3-amino-1-(4-hydroxyphenyl)-3-methylbutan-2-one
CID 116560214
2-[[2-(4-hydroxyphenyl)acetyl]amino]-2-methylpropanoic acid
CID 61262622
N-(2-hydroxyethyl)-2-(4-hydroxyphenyl)-N-methylacetamide
CID 60681963
1-(4-hydroxyphenyl)propan-2-one
CID 7019274

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl-[2-(4-hydroxyphenyl)acetyl]amino]acetic acid?
The IUPAC name of 2-[tert-butyl-[2-(4-hydroxyphenyl)acetyl]amino]acetic acid (CID 79266696) is 2-[tert-butyl-[2-(4-hydroxyphenyl)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[tert-butyl-[2-(4-hydroxyphenyl)acetyl]amino]acetic acid?
The canonical SMILES for 2-[tert-butyl-[2-(4-hydroxyphenyl)acetyl]amino]acetic acid is CC(C)(C)N(CC(=O)O)C(=O)Cc1ccc(O)cc1.
What is the InChIKey of 2-[tert-butyl-[2-(4-hydroxyphenyl)acetyl]amino]acetic acid?
The InChIKey is BATBXQDKQWCBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-14(2,3)15(9-13(18)19)12(17)8-10-4-6-11(16)7-5-10/h4-7,16H,8-9H2,1-3H3,(H,18,19).
What are the key properties of 2-[tert-butyl-[2-(4-hydroxyphenyl)acetyl]amino]acetic acid?
2-[tert-butyl-[2-(4-hydroxyphenyl)acetyl]amino]acetic acid has a molecular weight of 265.31 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl-[2-(4-hydroxyphenyl)acetyl]amino]acetic acid is sourced from PubChem (CID 79266696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).