2-[1-(2-methoxyphenyl)ethyl-methylamino]-2-methylpropanoic acid

C14H21NO3 — CID 65060788

IUPAC2-[1-(2-methoxyphenyl)ethyl-methylamino]-2-methylpropanoic acid
SMILESCOc1ccccc1C(C)N(C)C(C)(C)C(=O)O
InChIInChI=1S/C14H21NO3/c1-10(15(4)14(2,3)13(16)17)11-8-6-7-9-12(11)18-5/h6-10H,1-5H3,(H,16,17)
InChIKeyJVKZTUOMOORJLP-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.55
Rot. Bonds5

About 2-[1-(2-methoxyphenyl)ethyl-methylamino]-2-methylpropanoic acid

2-[1-(2-methoxyphenyl)ethyl-methylamino]-2-methylpropanoic acid (PubChem CID 65060788) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[1-(2-methoxyphenyl)ethyl-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[1-(2-methoxyphenyl)ethyl-methylamino]-2-methylpropanoic acid
PubChem CID65060788
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name2-[1-(2-methoxyphenyl)ethyl-methylamino]-2-methylpropanoic acid
SMILESCOc1ccccc1C(C)N(C)C(C)(C)C(=O)O
InChIInChI=1S/C14H21NO3/c1-10(15(4)14(2,3)13(16)17)11-8-6-7-9-12(11)18-5/h6-10H,1-5H3,(H,16,17)
InChIKeyJVKZTUOMOORJLP-UHFFFAOYSA-N
XLogP2.55
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[2-(difluoromethoxy)phenyl]ethyl-methylamino]-2-methylpropanoic acid
CID 65060590
N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide
CID 60736732
(3R)-3-hydroxy-N-[(1S)-1-(2-methoxyphenyl)ethyl]-N-methyl-3-phenylbutanamide
CID 97347397
(3S)-3-hydroxy-N-[(1R)-1-(2-methoxyphenyl)ethyl]-N-methyl-3-phenylbutanamide
CID 97347396
3-(2-methoxyphenyl)-2-oxobutanoic acid
CID 70150557
2-[2-(dimethylamino)ethyl-[1-(2-methoxyphenyl)ethyl]amino]acetic acid
CID 107426423
2-chloro-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide
CID 75806999
1-methoxy-2-(2,2,4,4-tetramethylpentan-3-yl)benzene
CID 173474378
(1R)-N-ethyl-1-(2-methoxyphenyl)-N-methylethanamine
CID 118327627
5-amino-N-[1-(2-methoxyphenyl)ethyl]-N,2-dimethylpentanamide
CID 104684407
3-(ethylamino)-N-[1-(2-methoxyphenyl)ethyl]-N,2-dimethylpropanamide
CID 62853456
N-ethyl-N-[(1S)-1-(2-methoxyphenyl)ethyl]-4,4-dimethylpentanamide
CID 58313512

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methoxyphenyl)ethyl-methylamino]-2-methylpropanoic acid?
The IUPAC name of 2-[1-(2-methoxyphenyl)ethyl-methylamino]-2-methylpropanoic acid (CID 65060788) is 2-[1-(2-methoxyphenyl)ethyl-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[1-(2-methoxyphenyl)ethyl-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-[1-(2-methoxyphenyl)ethyl-methylamino]-2-methylpropanoic acid is COc1ccccc1C(C)N(C)C(C)(C)C(=O)O.
What is the InChIKey of 2-[1-(2-methoxyphenyl)ethyl-methylamino]-2-methylpropanoic acid?
The InChIKey is JVKZTUOMOORJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-10(15(4)14(2,3)13(16)17)11-8-6-7-9-12(11)18-5/h6-10H,1-5H3,(H,16,17).
What are the key properties of 2-[1-(2-methoxyphenyl)ethyl-methylamino]-2-methylpropanoic acid?
2-[1-(2-methoxyphenyl)ethyl-methylamino]-2-methylpropanoic acid has a molecular weight of 251.33 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methoxyphenyl)ethyl-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 65060788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).