2-[(5-ethyl-2-methoxyphenyl)methyl-methylamino]-2-methylpropanoic acid

C15H23NO3 — CID 115128018

IUPAC2-[(5-ethyl-2-methoxyphenyl)methyl-methylamino]-2-methylpropanoic acid
SMILESCCc1ccc(OC)c(CN(C)C(C)(C)C(=O)O)c1
InChIInChI=1S/C15H23NO3/c1-6-11-7-8-13(19-5)12(9-11)10-16(4)15(2,3)14(17)18/h7-9H,6,10H2,1-5H3,(H,17,18)
InChIKeyYRSYHYWKDKUSML-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.55
Rot. Bonds6

About 2-[(5-ethyl-2-methoxyphenyl)methyl-methylamino]-2-methylpropanoic acid

2-[(5-ethyl-2-methoxyphenyl)methyl-methylamino]-2-methylpropanoic acid (PubChem CID 115128018) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 2-[(5-ethyl-2-methoxyphenyl)methyl-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(5-ethyl-2-methoxyphenyl)methyl-methylamino]-2-methylpropanoic acid
PubChem CID115128018
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name2-[(5-ethyl-2-methoxyphenyl)methyl-methylamino]-2-methylpropanoic acid
SMILESCCc1ccc(OC)c(CN(C)C(C)(C)C(=O)O)c1
InChIInChI=1S/C15H23NO3/c1-6-11-7-8-13(19-5)12(9-11)10-16(4)15(2,3)14(17)18/h7-9H,6,10H2,1-5H3,(H,17,18)
InChIKeyYRSYHYWKDKUSML-UHFFFAOYSA-N
XLogP2.55
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3,4-dimethoxyphenyl)methyl-methylamino]-2-methylpropanoic acid
CID 55123362
2-(5-ethyl-2-methoxy-N-methylanilino)-2-methylpropanoic acid
CID 115127869
2-[(5-ethyl-2-methoxyphenyl)methyl-methylamino]propanoic acid
CID 117041938
3-[(5-ethyl-2-methoxyphenyl)methyl-methylamino]propane-1,2-diol
CID 115122202
2-[(2-chloro-3,4-dimethoxyphenyl)methyl-methylamino]-2-methylpropanoic acid
CID 65060890
3-(5-ethyl-2-methoxyphenyl)propanoic acid
CID 82126594
2-[(3-ethyl-4-methoxyphenyl)methyl-methylamino]-2-methylpropan-1-ol
CID 115133450
2-(5-ethyl-2-methoxyphenyl)sulfanyl-2-methylpropanoic acid
CID 116852188
5-[(5-ethyl-2-methoxyphenyl)methyl-methylamino]pentan-2-one
CID 115236595
3-amino-4-(5-ethyl-2-methoxyphenyl)-3-methylbutanoic acid
CID 112514639
2-[2-(5-ethyl-2-methoxyphenyl)ethyl-methylamino]acetic acid
CID 115005474
N-[(5-ethyl-2-methoxyphenyl)methyl]-N-methyl-2-(methylamino)acetamide
CID 115151962

Frequently Asked Questions

What is the IUPAC name of 2-[(5-ethyl-2-methoxyphenyl)methyl-methylamino]-2-methylpropanoic acid?
The IUPAC name of 2-[(5-ethyl-2-methoxyphenyl)methyl-methylamino]-2-methylpropanoic acid (CID 115128018) is 2-[(5-ethyl-2-methoxyphenyl)methyl-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[(5-ethyl-2-methoxyphenyl)methyl-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-[(5-ethyl-2-methoxyphenyl)methyl-methylamino]-2-methylpropanoic acid is CCc1ccc(OC)c(CN(C)C(C)(C)C(=O)O)c1.
What is the InChIKey of 2-[(5-ethyl-2-methoxyphenyl)methyl-methylamino]-2-methylpropanoic acid?
The InChIKey is YRSYHYWKDKUSML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-6-11-7-8-13(19-5)12(9-11)10-16(4)15(2,3)14(17)18/h7-9H,6,10H2,1-5H3,(H,17,18).
What are the key properties of 2-[(5-ethyl-2-methoxyphenyl)methyl-methylamino]-2-methylpropanoic acid?
2-[(5-ethyl-2-methoxyphenyl)methyl-methylamino]-2-methylpropanoic acid has a molecular weight of 265.35 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-ethyl-2-methoxyphenyl)methyl-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 115128018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).