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

C14H21NO3 — CID 117041938

IUPAC2-[(5-ethyl-2-methoxyphenyl)methyl-methylamino]propanoic acid
SMILESCCc1ccc(OC)c(CN(C)C(C)C(=O)O)c1
InChIInChI=1S/C14H21NO3/c1-5-11-6-7-13(18-4)12(8-11)9-15(3)10(2)14(16)17/h6-8,10H,5,9H2,1-4H3,(H,16,17)
InChIKeyHUXWJRMDRDBAMQ-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.16
Rot. Bonds6

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

2-[(5-ethyl-2-methoxyphenyl)methyl-methylamino]propanoic acid (PubChem CID 117041938) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[(5-ethyl-2-methoxyphenyl)methyl-methylamino]propanoic acid.

Molecular Properties

Compound Name2-[(5-ethyl-2-methoxyphenyl)methyl-methylamino]propanoic acid
PubChem CID117041938
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name2-[(5-ethyl-2-methoxyphenyl)methyl-methylamino]propanoic acid
SMILESCCc1ccc(OC)c(CN(C)C(C)C(=O)O)c1
InChIInChI=1S/C14H21NO3/c1-5-11-6-7-13(18-4)12(8-11)9-15(3)10(2)14(16)17/h6-8,10H,5,9H2,1-4H3,(H,16,17)
InChIKeyHUXWJRMDRDBAMQ-UHFFFAOYSA-N
XLogP2.16
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(3-ethyl-4-methoxyphenyl)ethyl-methylamino]propanoic acid
CID 117042024
2-[(5-fluoro-2-methoxyphenyl)methyl-methylamino]propanoic acid
CID 62637971
2-[(3-methoxy-4-propan-2-yloxyphenyl)methyl-methylamino]propanoic acid
CID 122036778
2-[(5-ethyl-2-methoxyphenyl)methyl-methylamino]-2-methylpropanoic acid
CID 115128018
3-(5-ethyl-2-methoxyphenyl)propanoic acid
CID 82126594
2-[[4-methoxy-3-(3-methylbutoxy)phenyl]methyl-methylamino]propanoic acid
CID 122036947
2-[(3-ethyl-4-methoxyphenyl)methyl-methylamino]-3-methylbutan-1-ol
CID 115137605
5-(5-ethyl-2-methoxyphenyl)-4-methylpentan-2-one
CID 83942693
5-[(5-ethyl-2-methoxyphenyl)methyl-methylamino]pentan-2-one
CID 115236595
2-[2-(5-fluoro-2-methoxyphenyl)ethyl-methylamino]propanoic acid
CID 117042003
N-[(5-ethyl-2-methoxyphenyl)methyl]-N-methyl-2-(methylamino)acetamide
CID 115151962
2-[2-(5-ethyl-2-methoxyphenyl)ethyl-methylamino]acetic acid
CID 115005474

Frequently Asked Questions

What is the IUPAC name of 2-[(5-ethyl-2-methoxyphenyl)methyl-methylamino]propanoic acid?
The IUPAC name of 2-[(5-ethyl-2-methoxyphenyl)methyl-methylamino]propanoic acid (CID 117041938) is 2-[(5-ethyl-2-methoxyphenyl)methyl-methylamino]propanoic acid.
What is the SMILES notation for 2-[(5-ethyl-2-methoxyphenyl)methyl-methylamino]propanoic acid?
The canonical SMILES for 2-[(5-ethyl-2-methoxyphenyl)methyl-methylamino]propanoic acid is CCc1ccc(OC)c(CN(C)C(C)C(=O)O)c1.
What is the InChIKey of 2-[(5-ethyl-2-methoxyphenyl)methyl-methylamino]propanoic acid?
The InChIKey is HUXWJRMDRDBAMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-5-11-6-7-13(18-4)12(8-11)9-15(3)10(2)14(16)17/h6-8,10H,5,9H2,1-4H3,(H,16,17).
What are the key properties of 2-[(5-ethyl-2-methoxyphenyl)methyl-methylamino]propanoic acid?
2-[(5-ethyl-2-methoxyphenyl)methyl-methylamino]propanoic acid has a molecular weight of 251.33 g/mol, XLogP of 2.16, 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]propanoic acid is sourced from PubChem (CID 117041938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).