2-[4-[[(2-methylpropan-2-yl)oxyamino]methyl]phenyl]acetic acid

C13H19NO3 — CID 103261398

IUPAC2-[4-[[(2-methylpropan-2-yl)oxyamino]methyl]phenyl]acetic acid
SMILESCC(C)(C)ONCc1ccc(CC(=O)O)cc1
InChIInChI=1S/C13H19NO3/c1-13(2,3)17-14-9-11-6-4-10(5-7-11)8-12(15)16/h4-7,14H,8-9H2,1-3H3,(H,15,16)
InChIKeySFFZWUMQDBCJQW-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.13
Rot. Bonds5

About 2-[4-[[(2-methylpropan-2-yl)oxyamino]methyl]phenyl]acetic acid

2-[4-[[(2-methylpropan-2-yl)oxyamino]methyl]phenyl]acetic acid (PubChem CID 103261398) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-[4-[[(2-methylpropan-2-yl)oxyamino]methyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[[(2-methylpropan-2-yl)oxyamino]methyl]phenyl]acetic acid
PubChem CID103261398
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name2-[4-[[(2-methylpropan-2-yl)oxyamino]methyl]phenyl]acetic acid
SMILESCC(C)(C)ONCc1ccc(CC(=O)O)cc1
InChIInChI=1S/C13H19NO3/c1-13(2,3)17-14-9-11-6-4-10(5-7-11)8-12(15)16/h4-7,14H,8-9H2,1-3H3,(H,15,16)
InChIKeySFFZWUMQDBCJQW-UHFFFAOYSA-N
XLogP2.13
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[4-[(3-methylpentan-3-ylamino)methyl]phenyl]acetic acid
CID 106330128
1-(4-chlorophenyl)-N-[(2-methylpropan-2-yl)oxy]methanamine
CID 82720707
1-(4-fluorophenyl)-N-[(2-methylpropan-2-yl)oxy]methanamine
CID 82720815
2-[4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]oxyphenyl]acetic acid
CID 166866733
1-(4-cyclopropylphenyl)-N-[(2-methylpropan-2-yl)oxy]methanamine
CID 82720184
N,N-diethyl-4-[[(2-methylpropan-2-yl)oxyamino]methyl]aniline
CID 82720600
2-[4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]phenyl]acetic acid
CID 69115403
2-[4-(propylaminomethyl)phenyl]acetic acid
CID 103235096
3-[[(2-methylpropan-2-yl)oxyamino]methyl]furan-2-carboxylic acid
CID 103261384
2-[4-(2,2-difluoropropoxy)phenyl]acetic acid
CID 84693365
2-[4-[(2,6-dimethylanilino)methyl]phenyl]acetic acid
CID 103247796
2-(4-hydroperoxyphenyl)acetic acid
CID 151534269

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(2-methylpropan-2-yl)oxyamino]methyl]phenyl]acetic acid?
The IUPAC name of 2-[4-[[(2-methylpropan-2-yl)oxyamino]methyl]phenyl]acetic acid (CID 103261398) is 2-[4-[[(2-methylpropan-2-yl)oxyamino]methyl]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[[(2-methylpropan-2-yl)oxyamino]methyl]phenyl]acetic acid?
The canonical SMILES for 2-[4-[[(2-methylpropan-2-yl)oxyamino]methyl]phenyl]acetic acid is CC(C)(C)ONCc1ccc(CC(=O)O)cc1.
What is the InChIKey of 2-[4-[[(2-methylpropan-2-yl)oxyamino]methyl]phenyl]acetic acid?
The InChIKey is SFFZWUMQDBCJQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-13(2,3)17-14-9-11-6-4-10(5-7-11)8-12(15)16/h4-7,14H,8-9H2,1-3H3,(H,15,16).
What are the key properties of 2-[4-[[(2-methylpropan-2-yl)oxyamino]methyl]phenyl]acetic acid?
2-[4-[[(2-methylpropan-2-yl)oxyamino]methyl]phenyl]acetic acid has a molecular weight of 237.30 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(2-methylpropan-2-yl)oxyamino]methyl]phenyl]acetic acid is sourced from PubChem (CID 103261398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).