2-[(4-propan-2-yloxybenzoyl)amino]acetic acid

C12H15NO4 — CID 870166

IUPAC2-[(4-propan-2-yloxybenzoyl)amino]acetic acid
SMILESCC(C)Oc1ccc(C(=O)NCC(=O)O)cc1
InChIInChI=1S/C12H15NO4/c1-8(2)17-10-5-3-9(4-6-10)12(16)13-7-11(14)15/h3-6,8H,7H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyYDKJMFDJOJQCSO-UHFFFAOYSA-N
MW237.25 g/mol
LogP1.29
Rot. Bonds5

About 2-[(4-propan-2-yloxybenzoyl)amino]acetic acid

2-[(4-propan-2-yloxybenzoyl)amino]acetic acid (PubChem CID 870166) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is 2-[(4-propan-2-yloxybenzoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(4-propan-2-yloxybenzoyl)amino]acetic acid
PubChem CID870166
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name2-[(4-propan-2-yloxybenzoyl)amino]acetic acid
SMILESCC(C)Oc1ccc(C(=O)NCC(=O)O)cc1
InChIInChI=1S/C12H15NO4/c1-8(2)17-10-5-3-9(4-6-10)12(16)13-7-11(14)15/h3-6,8H,7H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyYDKJMFDJOJQCSO-UHFFFAOYSA-N
XLogP1.29
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-propan-2-yloxybenzoyl)amino]acetic acid?
The IUPAC name of 2-[(4-propan-2-yloxybenzoyl)amino]acetic acid (CID 870166) is 2-[(4-propan-2-yloxybenzoyl)amino]acetic acid.
What is the SMILES notation for 2-[(4-propan-2-yloxybenzoyl)amino]acetic acid?
The canonical SMILES for 2-[(4-propan-2-yloxybenzoyl)amino]acetic acid is CC(C)Oc1ccc(C(=O)NCC(=O)O)cc1.
What is the InChIKey of 2-[(4-propan-2-yloxybenzoyl)amino]acetic acid?
The InChIKey is YDKJMFDJOJQCSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-8(2)17-10-5-3-9(4-6-10)12(16)13-7-11(14)15/h3-6,8H,7H2,1-2H3,(H,13,16)(H,14,15).
What are the key properties of 2-[(4-propan-2-yloxybenzoyl)amino]acetic acid?
2-[(4-propan-2-yloxybenzoyl)amino]acetic acid has a molecular weight of 237.25 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-propan-2-yloxybenzoyl)amino]acetic acid is sourced from PubChem (CID 870166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).