2-formamido-3-(2-methoxyphenyl)-2-methylpropanoic acid

C12H15NO4 — CID 63688568

IUPAC2-formamido-3-(2-methoxyphenyl)-2-methylpropanoic acid
SMILESCOc1ccccc1CC(C)(NC=O)C(=O)O
InChIInChI=1S/C12H15NO4/c1-12(11(15)16,13-8-14)7-9-5-3-4-6-10(9)17-2/h3-6,8H,7H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyUBGIJWTZZGAXOT-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.83
Rot. Bonds6

About 2-formamido-3-(2-methoxyphenyl)-2-methylpropanoic acid

2-formamido-3-(2-methoxyphenyl)-2-methylpropanoic acid (PubChem CID 63688568) has the molecular formula C12H15NO4 and a molecular weight of 237.26 g/mol. Its IUPAC name is 2-formamido-3-(2-methoxyphenyl)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-formamido-3-(2-methoxyphenyl)-2-methylpropanoic acid
PubChem CID63688568
Molecular FormulaC12H15NO4
Molecular Weight237.26 g/mol
Exact Mass237.10
IUPAC Name2-formamido-3-(2-methoxyphenyl)-2-methylpropanoic acid
SMILESCOc1ccccc1CC(C)(NC=O)C(=O)O
InChIInChI=1S/C12H15NO4/c1-12(11(15)16,13-8-14)7-9-5-3-4-6-10(9)17-2/h3-6,8H,7H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyUBGIJWTZZGAXOT-UHFFFAOYSA-N
XLogP0.83
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-(2-methoxyphenyl)-2-methyl-2-(propylamino)propanoic acid
CID 60929115
3-(2-methoxyphenyl)-2-methyl-2-(prop-2-ynylamino)propanoic acid
CID 61341210
2-(cyclopropylamino)-3-(2-methoxyphenyl)-2-methylpropanoic acid
CID 60929248
3-(2-methoxyphenyl)-2-methyl-2-(2,2,2-trifluoroethylamino)propanoic acid
CID 60997285
2-amino-2-bromo-3-(2-methoxyphenyl)propanoic acid
CID 164851883
2-[[2-(2-methoxyphenyl)acetyl]amino]-2-methylpentanoic acid
CID 43618494
2-[2-(2-methoxyphenyl)ethylamino]-2-methylpropanoic acid
CID 94687146
3-(ethylamino)-4-(2-methoxyphenyl)-3-methylbutanoic acid
CID 65233656
2-[2-(2-methoxyphenyl)ethylcarbamoylamino]-2-methylbutanoic acid
CID 106262032
(Z)-4-(2-methoxyphenyl)-3-methylbut-2-enoic acid
CID 97301486
N-[2-(ethylamino)ethyl]-3-(2-methoxyphenyl)-2,2-dimethylpropanamide
CID 119506968
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CID 65236981

Frequently Asked Questions

What is the IUPAC name of 2-formamido-3-(2-methoxyphenyl)-2-methylpropanoic acid?
The IUPAC name of 2-formamido-3-(2-methoxyphenyl)-2-methylpropanoic acid (CID 63688568) is 2-formamido-3-(2-methoxyphenyl)-2-methylpropanoic acid.
What is the SMILES notation for 2-formamido-3-(2-methoxyphenyl)-2-methylpropanoic acid?
The canonical SMILES for 2-formamido-3-(2-methoxyphenyl)-2-methylpropanoic acid is COc1ccccc1CC(C)(NC=O)C(=O)O.
What is the InChIKey of 2-formamido-3-(2-methoxyphenyl)-2-methylpropanoic acid?
The InChIKey is UBGIJWTZZGAXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c1-12(11(15)16,13-8-14)7-9-5-3-4-6-10(9)17-2/h3-6,8H,7H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 2-formamido-3-(2-methoxyphenyl)-2-methylpropanoic acid?
2-formamido-3-(2-methoxyphenyl)-2-methylpropanoic acid has a molecular weight of 237.26 g/mol, XLogP of 0.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-formamido-3-(2-methoxyphenyl)-2-methylpropanoic acid is sourced from PubChem (CID 63688568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).