4-amino-3-(2-ethoxyphenyl)pentanoic acid

C13H19NO3 — CID 66098544

IUPAC4-amino-3-(2-ethoxyphenyl)pentanoic acid
SMILESCCOc1ccccc1C(CC(=O)O)C(C)N
InChIInChI=1S/C13H19NO3/c1-3-17-12-7-5-4-6-10(12)11(9(2)14)8-13(15)16/h4-7,9,11H,3,8,14H2,1-2H3,(H,15,16)
InChIKeyXRHDWLKEYOYVGX-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.99
Rot. Bonds6

About 4-amino-3-(2-ethoxyphenyl)pentanoic acid

4-amino-3-(2-ethoxyphenyl)pentanoic acid (PubChem CID 66098544) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 4-amino-3-(2-ethoxyphenyl)pentanoic acid.

Molecular Properties

Compound Name4-amino-3-(2-ethoxyphenyl)pentanoic acid
PubChem CID66098544
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name4-amino-3-(2-ethoxyphenyl)pentanoic acid
SMILESCCOc1ccccc1C(CC(=O)O)C(C)N
InChIInChI=1S/C13H19NO3/c1-3-17-12-7-5-4-6-10(12)11(9(2)14)8-13(15)16/h4-7,9,11H,3,8,14H2,1-2H3,(H,15,16)
InChIKeyXRHDWLKEYOYVGX-UHFFFAOYSA-N
XLogP1.99
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-ethoxyphenyl)butanedioic acid
CID 112508431
4-amino-3-(2,3-dimethoxyphenyl)pentanoic acid
CID 66096873
4-amino-3-(2-methoxyphenyl)hexanoic acid
CID 66097523
4-fluoro-3-(2-methoxyphenyl)pentanoic acid
CID 115035494
5-amino-5-(2-ethoxyphenyl)pentanoic acid
CID 82367142
2-[2-[[2-[(1R)-1-aminoethyl]phenoxy]methyl]phenyl]acetic acid
CID 115461339
3-(2-ethoxyphenyl)-3-pyrrolidin-1-ylpropanoic acid
CID 64527940
(2-ethoxyphenyl)-(2-ethylphenyl)methanamine
CID 115853715
(2R)-2-(2-ethoxyphenyl)-2-hydroxyacetamide
CID 94376566
3-methyl-4-(2-propan-2-ylphenoxy)butanoic acid
CID 112508341
3-(2-ethoxyphenyl)-2-fluorobutanoic acid
CID 81358272
4-amino-3-(3-chloro-2-fluorophenyl)pentanoic acid
CID 114489141

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(2-ethoxyphenyl)pentanoic acid?
The IUPAC name of 4-amino-3-(2-ethoxyphenyl)pentanoic acid (CID 66098544) is 4-amino-3-(2-ethoxyphenyl)pentanoic acid.
What is the SMILES notation for 4-amino-3-(2-ethoxyphenyl)pentanoic acid?
The canonical SMILES for 4-amino-3-(2-ethoxyphenyl)pentanoic acid is CCOc1ccccc1C(CC(=O)O)C(C)N.
What is the InChIKey of 4-amino-3-(2-ethoxyphenyl)pentanoic acid?
The InChIKey is XRHDWLKEYOYVGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-3-17-12-7-5-4-6-10(12)11(9(2)14)8-13(15)16/h4-7,9,11H,3,8,14H2,1-2H3,(H,15,16).
What are the key properties of 4-amino-3-(2-ethoxyphenyl)pentanoic acid?
4-amino-3-(2-ethoxyphenyl)pentanoic acid has a molecular weight of 237.30 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(2-ethoxyphenyl)pentanoic acid is sourced from PubChem (CID 66098544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).