2-[4-[(2-methoxy-2-methylpropanoyl)amino]phenyl]acetic acid

C13H17NO4 — CID 113424569

IUPAC2-[4-[(2-methoxy-2-methylpropanoyl)amino]phenyl]acetic acid
SMILESCOC(C)(C)C(=O)Nc1ccc(CC(=O)O)cc1
InChIInChI=1S/C13H17NO4/c1-13(2,18-3)12(17)14-10-6-4-9(5-7-10)8-11(15)16/h4-7H,8H2,1-3H3,(H,14,17)(H,15,16)
InChIKeyVIICYBXDKDDTDI-UHFFFAOYSA-N
MW251.28 g/mol
LogP1.68
Rot. Bonds5

About 2-[4-[(2-methoxy-2-methylpropanoyl)amino]phenyl]acetic acid

2-[4-[(2-methoxy-2-methylpropanoyl)amino]phenyl]acetic acid (PubChem CID 113424569) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is 2-[4-[(2-methoxy-2-methylpropanoyl)amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[(2-methoxy-2-methylpropanoyl)amino]phenyl]acetic acid
PubChem CID113424569
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name2-[4-[(2-methoxy-2-methylpropanoyl)amino]phenyl]acetic acid
SMILESCOC(C)(C)C(=O)Nc1ccc(CC(=O)O)cc1
InChIInChI=1S/C13H17NO4/c1-13(2,18-3)12(17)14-10-6-4-9(5-7-10)8-11(15)16/h4-7H,8H2,1-3H3,(H,14,17)(H,15,16)
InChIKeyVIICYBXDKDDTDI-UHFFFAOYSA-N
XLogP1.68
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(2-hydroxyethyl)phenyl]-2-methoxy-2-methylpropanamide
CID 103771888
2-[2-fluoro-4-[(2-methoxy-2-methylpropanoyl)amino]phenyl]acetic acid
CID 122109787
N-(4-acetylphenyl)-2-methoxy-2-methylpropanamide
CID 113233232
N-(4-formylphenyl)-2-methoxy-2-methylpropanamide
CID 106912194
2-methoxy-2-methyl-N-[4-(trifluoromethyl)phenyl]propanamide
CID 18709942
2-[4-(tert-butylcarbamothioylamino)phenyl]acetic acid
CID 124749051
2-[4-(3-methylpentan-3-ylcarbamoylamino)phenyl]acetic acid
CID 106330639
4-[[4-(carboxymethyl)phenyl]carbamoylamino]benzoic acid
CID 127562090
2-[4-(3,3-dimethylbutan-2-ylcarbamoylamino)phenyl]acetic acid
CID 104829403
2-[4-(phenylcarbamoylamino)phenyl]acetic acid
CID 564698
2-[4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]phenyl]acetic acid
CID 69115403
(Z)-4-[4-(carboxymethyl)anilino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 82036832

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-methoxy-2-methylpropanoyl)amino]phenyl]acetic acid?
The IUPAC name of 2-[4-[(2-methoxy-2-methylpropanoyl)amino]phenyl]acetic acid (CID 113424569) is 2-[4-[(2-methoxy-2-methylpropanoyl)amino]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[(2-methoxy-2-methylpropanoyl)amino]phenyl]acetic acid?
The canonical SMILES for 2-[4-[(2-methoxy-2-methylpropanoyl)amino]phenyl]acetic acid is COC(C)(C)C(=O)Nc1ccc(CC(=O)O)cc1.
What is the InChIKey of 2-[4-[(2-methoxy-2-methylpropanoyl)amino]phenyl]acetic acid?
The InChIKey is VIICYBXDKDDTDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c1-13(2,18-3)12(17)14-10-6-4-9(5-7-10)8-11(15)16/h4-7H,8H2,1-3H3,(H,14,17)(H,15,16).
What are the key properties of 2-[4-[(2-methoxy-2-methylpropanoyl)amino]phenyl]acetic acid?
2-[4-[(2-methoxy-2-methylpropanoyl)amino]phenyl]acetic acid has a molecular weight of 251.28 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-methoxy-2-methylpropanoyl)amino]phenyl]acetic acid is sourced from PubChem (CID 113424569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).