2-[2-[(2-methoxy-2-oxoethyl)amino]phenyl]-2-methylpropanoic acid

C13H17NO4 — CID 82539674

IUPAC2-[2-[(2-methoxy-2-oxoethyl)amino]phenyl]-2-methylpropanoic acid
SMILESCOC(=O)CNc1ccccc1C(C)(C)C(=O)O
InChIInChI=1S/C13H17NO4/c1-13(2,12(16)17)9-6-4-5-7-10(9)14-8-11(15)18-3/h4-7,14H,8H2,1-3H3,(H,16,17)
InChIKeyVODSCNUOMDOSEC-UHFFFAOYSA-N
MW251.28 g/mol
LogP1.63
Rot. Bonds5

About 2-[2-[(2-methoxy-2-oxoethyl)amino]phenyl]-2-methylpropanoic acid

2-[2-[(2-methoxy-2-oxoethyl)amino]phenyl]-2-methylpropanoic acid (PubChem CID 82539674) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is 2-[2-[(2-methoxy-2-oxoethyl)amino]phenyl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[2-[(2-methoxy-2-oxoethyl)amino]phenyl]-2-methylpropanoic acid
PubChem CID82539674
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name2-[2-[(2-methoxy-2-oxoethyl)amino]phenyl]-2-methylpropanoic acid
SMILESCOC(=O)CNc1ccccc1C(C)(C)C(=O)O
InChIInChI=1S/C13H17NO4/c1-13(2,12(16)17)9-6-4-5-7-10(9)14-8-11(15)18-3/h4-7,14H,8H2,1-3H3,(H,16,17)
InChIKeyVODSCNUOMDOSEC-UHFFFAOYSA-N
XLogP1.63
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(3-hydroxypropylamino)phenyl]-2-methylpropanoic acid
CID 82539740
methyl 2-(2-phenylanilino)acetate
CID 28569437
2-[2-[(3,4-dimethoxyphenyl)methylamino]phenyl]-2-methylpropanoic acid
CID 110452270
methyl 2-[2-(N-methylanilino)anilino]acetate
CID 47313605
methyl 2-[2-(trifluoromethoxy)anilino]acetate
CID 28577783
2-[2-[[4-(dimethylamino)phenyl]methylamino]phenyl]-2-methylpropanoic acid
CID 110452209
methyl 2-(3-benzamido-2-methylanilino)acetate
CID 47064255
2-[2-(trifluoromethyl)anilino]acetic acid
CID 21238931
methyl 2-[4-bromo-2-(trifluoromethyl)anilino]acetate
CID 60790807
methyl 2-[4-amino-2-(trifluoromethyl)anilino]acetate
CID 54935472
methyl 2-[[2-[(2-phenylacetyl)amino]acetyl]amino]acetate
CID 23345289
3-(2-tert-butylanilino)-2-hydroxy-2-methylpropanoic acid
CID 104644544

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-methoxy-2-oxoethyl)amino]phenyl]-2-methylpropanoic acid?
The IUPAC name of 2-[2-[(2-methoxy-2-oxoethyl)amino]phenyl]-2-methylpropanoic acid (CID 82539674) is 2-[2-[(2-methoxy-2-oxoethyl)amino]phenyl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[2-[(2-methoxy-2-oxoethyl)amino]phenyl]-2-methylpropanoic acid?
The canonical SMILES for 2-[2-[(2-methoxy-2-oxoethyl)amino]phenyl]-2-methylpropanoic acid is COC(=O)CNc1ccccc1C(C)(C)C(=O)O.
What is the InChIKey of 2-[2-[(2-methoxy-2-oxoethyl)amino]phenyl]-2-methylpropanoic acid?
The InChIKey is VODSCNUOMDOSEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c1-13(2,12(16)17)9-6-4-5-7-10(9)14-8-11(15)18-3/h4-7,14H,8H2,1-3H3,(H,16,17).
What are the key properties of 2-[2-[(2-methoxy-2-oxoethyl)amino]phenyl]-2-methylpropanoic acid?
2-[2-[(2-methoxy-2-oxoethyl)amino]phenyl]-2-methylpropanoic acid has a molecular weight of 251.28 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-methoxy-2-oxoethyl)amino]phenyl]-2-methylpropanoic acid is sourced from PubChem (CID 82539674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).