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

C14H18ClNO4 — CID 79266477

IUPAC2-[tert-butyl-[2-(4-chlorophenoxy)acetyl]amino]acetic acid
SMILESCC(C)(C)N(CC(=O)O)C(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C14H18ClNO4/c1-14(2,3)16(8-13(18)19)12(17)9-20-11-6-4-10(15)5-7-11/h4-7H,8-9H2,1-3H3,(H,18,19)
InChIKeyWPPWTOVFPGXQQD-UHFFFAOYSA-N
MW299.75 g/mol
LogP2.43
Rot. Bonds5

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

2-[tert-butyl-[2-(4-chlorophenoxy)acetyl]amino]acetic acid (PubChem CID 79266477) has the molecular formula C14H18ClNO4 and a molecular weight of 299.75 g/mol. Its IUPAC name is 2-[tert-butyl-[2-(4-chlorophenoxy)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[tert-butyl-[2-(4-chlorophenoxy)acetyl]amino]acetic acid
PubChem CID79266477
Molecular FormulaC14H18ClNO4
Molecular Weight299.75 g/mol
Exact Mass299.09
IUPAC Name2-[tert-butyl-[2-(4-chlorophenoxy)acetyl]amino]acetic acid
SMILESCC(C)(C)N(CC(=O)O)C(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C14H18ClNO4/c1-14(2,3)16(8-13(18)19)12(17)9-20-11-6-4-10(15)5-7-11/h4-7H,8-9H2,1-3H3,(H,18,19)
InChIKeyWPPWTOVFPGXQQD-UHFFFAOYSA-N
XLogP2.43
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.75
LogP ≤ 52.43
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-[tert-butyl-[2-(3-methylphenoxy)acetyl]amino]acetic acid
CID 79266699
2-(4-chlorophenoxy)-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide
CID 79290860
bis(2-(4-chlorophenoxy)acetic acid);zinc
CID 11201418
2-[tert-butyl-[2-(2,5-dimethylphenoxy)acetyl]amino]acetic acid
CID 79265320
N-benzyl-N-tert-butyl-2-phenoxyacetamide
CID 2927672
2-(4-chlorophenoxy)-N-cyclopropyl-N-methylacetamide
CID 60747870
2-(4-chlorophenoxy)-N-propan-2-ylacetohydrazide
CID 68818842
2-(4-chlorophenoxy)acetic acid;ethyl(dimethyl)stannane
CID 174737533
2-chloro-N,N-dimethylethanamine;2-(4-chlorophenoxy)acetic acid
CID 159778479
2-(4-chlorophenoxy)-N-cycloheptyl-N-methylacetamide
CID 55468954
N-[(4-tert-butylphenyl)methyl]-N-[(4-chlorophenyl)methyl]-2-phenoxyacetamide
CID 141107916

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl-[2-(4-chlorophenoxy)acetyl]amino]acetic acid?
The IUPAC name of 2-[tert-butyl-[2-(4-chlorophenoxy)acetyl]amino]acetic acid (CID 79266477) is 2-[tert-butyl-[2-(4-chlorophenoxy)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[tert-butyl-[2-(4-chlorophenoxy)acetyl]amino]acetic acid?
The canonical SMILES for 2-[tert-butyl-[2-(4-chlorophenoxy)acetyl]amino]acetic acid is CC(C)(C)N(CC(=O)O)C(=O)COc1ccc(Cl)cc1.
What is the InChIKey of 2-[tert-butyl-[2-(4-chlorophenoxy)acetyl]amino]acetic acid?
The InChIKey is WPPWTOVFPGXQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO4/c1-14(2,3)16(8-13(18)19)12(17)9-20-11-6-4-10(15)5-7-11/h4-7H,8-9H2,1-3H3,(H,18,19).
What are the key properties of 2-[tert-butyl-[2-(4-chlorophenoxy)acetyl]amino]acetic acid?
2-[tert-butyl-[2-(4-chlorophenoxy)acetyl]amino]acetic acid has a molecular weight of 299.75 g/mol, XLogP of 2.43, 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-(4-chlorophenoxy)acetyl]amino]acetic acid is sourced from PubChem (CID 79266477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).