3-(2-methoxyphenyl)-2-methyl-2-(propylamino)propanoic acid

C14H21NO3 — CID 60929115

IUPAC3-(2-methoxyphenyl)-2-methyl-2-(propylamino)propanoic acid
SMILESCCCNC(C)(Cc1ccccc1OC)C(=O)O
InChIInChI=1S/C14H21NO3/c1-4-9-15-14(2,13(16)17)10-11-7-5-6-8-12(11)18-3/h5-8,15H,4,9-10H2,1-3H3,(H,16,17)
InChIKeyMRWACGRQBIKBNQ-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.08
Rot. Bonds7

About 3-(2-methoxyphenyl)-2-methyl-2-(propylamino)propanoic acid

3-(2-methoxyphenyl)-2-methyl-2-(propylamino)propanoic acid (PubChem CID 60929115) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-2-methyl-2-(propylamino)propanoic acid.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-2-methyl-2-(propylamino)propanoic acid
PubChem CID60929115
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name3-(2-methoxyphenyl)-2-methyl-2-(propylamino)propanoic acid
SMILESCCCNC(C)(Cc1ccccc1OC)C(=O)O
InChIInChI=1S/C14H21NO3/c1-4-9-15-14(2,13(16)17)10-11-7-5-6-8-12(11)18-3/h5-8,15H,4,9-10H2,1-3H3,(H,16,17)
InChIKeyMRWACGRQBIKBNQ-UHFFFAOYSA-N
XLogP2.08
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-methoxyphenyl)-2-methyl-2-(prop-2-ynylamino)propanoic acid
CID 61341210
3-(2-methoxyphenyl)-2-methyl-2-(2,2,2-trifluoroethylamino)propanoic acid
CID 60997285
2-formamido-3-(2-methoxyphenyl)-2-methylpropanoic acid
CID 63688568
2-(cyclopropylamino)-3-(2-methoxyphenyl)-2-methylpropanoic acid
CID 60929248
4-[2-(hydroxymethyl)phenoxy]-2-methyl-2-(propylamino)butanoic acid
CID 63654688
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
3-(2-fluorophenyl)-2-(2-methoxyethylamino)-2-methylpropanoic acid
CID 114832173
2-[2-(2-methoxyphenyl)ethylcarbamoylamino]-2-methylbutanoic acid
CID 106262032
2-amino-2-bromo-3-(2-methoxyphenyl)propanoic acid
CID 164851883
2-(3-methoxypropylamino)-2-methyl-3-phenylpropanoic acid
CID 71564959

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-2-methyl-2-(propylamino)propanoic acid?
The IUPAC name of 3-(2-methoxyphenyl)-2-methyl-2-(propylamino)propanoic acid (CID 60929115) is 3-(2-methoxyphenyl)-2-methyl-2-(propylamino)propanoic acid.
What is the SMILES notation for 3-(2-methoxyphenyl)-2-methyl-2-(propylamino)propanoic acid?
The canonical SMILES for 3-(2-methoxyphenyl)-2-methyl-2-(propylamino)propanoic acid is CCCNC(C)(Cc1ccccc1OC)C(=O)O.
What is the InChIKey of 3-(2-methoxyphenyl)-2-methyl-2-(propylamino)propanoic acid?
The InChIKey is MRWACGRQBIKBNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-4-9-15-14(2,13(16)17)10-11-7-5-6-8-12(11)18-3/h5-8,15H,4,9-10H2,1-3H3,(H,16,17).
What are the key properties of 3-(2-methoxyphenyl)-2-methyl-2-(propylamino)propanoic acid?
3-(2-methoxyphenyl)-2-methyl-2-(propylamino)propanoic acid has a molecular weight of 251.33 g/mol, XLogP of 2.08, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-2-methyl-2-(propylamino)propanoic acid is sourced from PubChem (CID 60929115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).