(2S)-2-amino-2-(2-ethoxy-5-methylphenyl)acetic acid

C11H15NO3 — CID 7016959

IUPAC(2S)-2-amino-2-(2-ethoxy-5-methylphenyl)acetic acid
SMILESCCOc1ccc(C)cc1[C@H](N)C(=O)O
InChIInChI=1S/C11H15NO3/c1-3-15-9-5-4-7(2)6-8(9)10(12)11(13)14/h4-6,10H,3,12H2,1-2H3,(H,13,14)/t10-/m0/s1
InChIKeyZSKJUPGBGBZLPK-JTQLQIEISA-N
MW209.24 g/mol
LogP1.48
Rot. Bonds4

About (2S)-2-amino-2-(2-ethoxy-5-methylphenyl)acetic acid

(2S)-2-amino-2-(2-ethoxy-5-methylphenyl)acetic acid (PubChem CID 7016959) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is (2S)-2-amino-2-(2-ethoxy-5-methylphenyl)acetic acid.

Molecular Properties

Compound Name(2S)-2-amino-2-(2-ethoxy-5-methylphenyl)acetic acid
PubChem CID7016959
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Name(2S)-2-amino-2-(2-ethoxy-5-methylphenyl)acetic acid
SMILESCCOc1ccc(C)cc1[C@H](N)C(=O)O
InChIInChI=1S/C11H15NO3/c1-3-15-9-5-4-7(2)6-8(9)10(12)11(13)14/h4-6,10H,3,12H2,1-2H3,(H,13,14)/t10-/m0/s1
InChIKeyZSKJUPGBGBZLPK-JTQLQIEISA-N
XLogP1.48
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-4-(2-ethoxy-5-methylphenyl)butanamide
CID 62301820
2-[2-amino-2-(2-ethoxy-5-methylphenyl)ethoxy]acetamide
CID 62302330
5-amino-5-(2-ethoxy-5-methylphenyl)-3-methylpentanoic acid
CID 62941477
methyl 2-[2-amino-2-(2-ethoxy-5-methylphenyl)ethoxy]acetate
CID 55057129
3-(2-ethoxy-5-methylphenyl)pentanoic acid
CID 83958110
(1R)-1-(2-ethoxy-5-methylphenyl)ethanol
CID 63364902
1-(2-ethoxy-5-methylphenyl)octan-1-amine
CID 63505684
2-amino-2-(2-ethoxy-4-methoxyphenyl)acetic acid
CID 117323079
(2S)-2-amino-2-(6-ethoxy-1,3-benzodioxol-5-yl)acetic acid
CID 66510751
(2R)-2-amino-2-(3-ethoxy-4-methoxyphenyl)acetic acid
CID 124634766
4-(2-ethoxy-5-methylphenyl)-4-hydroxy-2,2-dimethylbutanoic acid
CID 65297696
2-[2-(1-aminoethyl)-4-methylphenoxy]-N,N-diethylacetamide
CID 43505060

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-(2-ethoxy-5-methylphenyl)acetic acid?
The IUPAC name of (2S)-2-amino-2-(2-ethoxy-5-methylphenyl)acetic acid (CID 7016959) is (2S)-2-amino-2-(2-ethoxy-5-methylphenyl)acetic acid.
What is the SMILES notation for (2S)-2-amino-2-(2-ethoxy-5-methylphenyl)acetic acid?
The canonical SMILES for (2S)-2-amino-2-(2-ethoxy-5-methylphenyl)acetic acid is CCOc1ccc(C)cc1[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-amino-2-(2-ethoxy-5-methylphenyl)acetic acid?
The InChIKey is ZSKJUPGBGBZLPK-JTQLQIEISA-N. The full InChI is InChI=1S/C11H15NO3/c1-3-15-9-5-4-7(2)6-8(9)10(12)11(13)14/h4-6,10H,3,12H2,1-2H3,(H,13,14)/t10-/m0/s1.
What are the key properties of (2S)-2-amino-2-(2-ethoxy-5-methylphenyl)acetic acid?
(2S)-2-amino-2-(2-ethoxy-5-methylphenyl)acetic acid has a molecular weight of 209.24 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-(2-ethoxy-5-methylphenyl)acetic acid is sourced from PubChem (CID 7016959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).