2-[tert-butyl-[2-(3-methylphenoxy)acetyl]amino]acetic acid

C15H21NO4 — CID 79266699

IUPAC2-[tert-butyl-[2-(3-methylphenoxy)acetyl]amino]acetic acid
SMILESCc1cccc(OCC(=O)N(CC(=O)O)C(C)(C)C)c1
InChIInChI=1S/C15H21NO4/c1-11-6-5-7-12(8-11)20-10-13(17)16(9-14(18)19)15(2,3)4/h5-8H,9-10H2,1-4H3,(H,18,19)
InChIKeyULLARWOXKDWJLP-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.09
Rot. Bonds5

About 2-[tert-butyl-[2-(3-methylphenoxy)acetyl]amino]acetic acid

2-[tert-butyl-[2-(3-methylphenoxy)acetyl]amino]acetic acid (PubChem CID 79266699) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[tert-butyl-[2-(3-methylphenoxy)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[tert-butyl-[2-(3-methylphenoxy)acetyl]amino]acetic acid
PubChem CID79266699
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name2-[tert-butyl-[2-(3-methylphenoxy)acetyl]amino]acetic acid
SMILESCc1cccc(OCC(=O)N(CC(=O)O)C(C)(C)C)c1
InChIInChI=1S/C15H21NO4/c1-11-6-5-7-12(8-11)20-10-13(17)16(9-14(18)19)15(2,3)4/h5-8H,9-10H2,1-4H3,(H,18,19)
InChIKeyULLARWOXKDWJLP-UHFFFAOYSA-N
XLogP2.09
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[tert-butyl-[2-(4-methylphenoxy)acetyl]amino]acetic acid
CID 79266539
2-[[2-(3-methylphenoxy)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79265254
2-(3-methylphenoxy)-N,N-di(propan-2-yl)acetamide
CID 892170
2-[tert-butyl-[2-(3-methylphenoxy)ethyl]amino]acetic acid
CID 79269116
2-[tert-butyl-[2-(4-chlorophenoxy)acetyl]amino]acetic acid
CID 79266477
4-[methyl-[2-(3-methylphenoxy)acetyl]amino]butanoic acid
CID 43240315
3-[ethyl-[2-(3-methylphenoxy)acetyl]amino]propanoic acid
CID 54899163
ethyl 2-[methyl-[2-(3-methylphenoxy)acetyl]amino]acetate
CID 54785206
N-(2,2-dimethylpropyl)-2-(3-methylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 56531141
N-benzhydryl-N-methyl-2-(3-methylphenoxy)acetamide
CID 8919009
3-methyl-3-[[2-(3-methylphenoxy)acetyl]amino]butanoic acid
CID 64672898
N-benzyl-N-tert-butyl-2-phenoxyacetamide
CID 2927672

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl-[2-(3-methylphenoxy)acetyl]amino]acetic acid?
The IUPAC name of 2-[tert-butyl-[2-(3-methylphenoxy)acetyl]amino]acetic acid (CID 79266699) is 2-[tert-butyl-[2-(3-methylphenoxy)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[tert-butyl-[2-(3-methylphenoxy)acetyl]amino]acetic acid?
The canonical SMILES for 2-[tert-butyl-[2-(3-methylphenoxy)acetyl]amino]acetic acid is Cc1cccc(OCC(=O)N(CC(=O)O)C(C)(C)C)c1.
What is the InChIKey of 2-[tert-butyl-[2-(3-methylphenoxy)acetyl]amino]acetic acid?
The InChIKey is ULLARWOXKDWJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-11-6-5-7-12(8-11)20-10-13(17)16(9-14(18)19)15(2,3)4/h5-8H,9-10H2,1-4H3,(H,18,19).
What are the key properties of 2-[tert-butyl-[2-(3-methylphenoxy)acetyl]amino]acetic acid?
2-[tert-butyl-[2-(3-methylphenoxy)acetyl]amino]acetic acid has a molecular weight of 279.34 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl-[2-(3-methylphenoxy)acetyl]amino]acetic acid is sourced from PubChem (CID 79266699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).