2-amino-2-[2-(dimethylamino)-5-ethylphenyl]acetic acid

C12H18N2O2 — CID 117115118

IUPAC2-amino-2-[2-(dimethylamino)-5-ethylphenyl]acetic acid
SMILESCCc1ccc(N(C)C)c(C(N)C(=O)O)c1
InChIInChI=1S/C12H18N2O2/c1-4-8-5-6-10(14(2)3)9(7-8)11(13)12(15)16/h5-7,11H,4,13H2,1-3H3,(H,15,16)
InChIKeyNWAFADCRYXUETL-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.40
Rot. Bonds4

About 2-amino-2-[2-(dimethylamino)-5-ethylphenyl]acetic acid

2-amino-2-[2-(dimethylamino)-5-ethylphenyl]acetic acid (PubChem CID 117115118) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-amino-2-[2-(dimethylamino)-5-ethylphenyl]acetic acid.

Molecular Properties

Compound Name2-amino-2-[2-(dimethylamino)-5-ethylphenyl]acetic acid
PubChem CID117115118
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-amino-2-[2-(dimethylamino)-5-ethylphenyl]acetic acid
SMILESCCc1ccc(N(C)C)c(C(N)C(=O)O)c1
InChIInChI=1S/C12H18N2O2/c1-4-8-5-6-10(14(2)3)9(7-8)11(13)12(15)16/h5-7,11H,4,13H2,1-3H3,(H,15,16)
InChIKeyNWAFADCRYXUETL-UHFFFAOYSA-N
XLogP1.40
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[2-(dimethylamino)-5-ethylphenyl]acetic acid?
The IUPAC name of 2-amino-2-[2-(dimethylamino)-5-ethylphenyl]acetic acid (CID 117115118) is 2-amino-2-[2-(dimethylamino)-5-ethylphenyl]acetic acid.
What is the SMILES notation for 2-amino-2-[2-(dimethylamino)-5-ethylphenyl]acetic acid?
The canonical SMILES for 2-amino-2-[2-(dimethylamino)-5-ethylphenyl]acetic acid is CCc1ccc(N(C)C)c(C(N)C(=O)O)c1.
What is the InChIKey of 2-amino-2-[2-(dimethylamino)-5-ethylphenyl]acetic acid?
The InChIKey is NWAFADCRYXUETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-4-8-5-6-10(14(2)3)9(7-8)11(13)12(15)16/h5-7,11H,4,13H2,1-3H3,(H,15,16).
What are the key properties of 2-amino-2-[2-(dimethylamino)-5-ethylphenyl]acetic acid?
2-amino-2-[2-(dimethylamino)-5-ethylphenyl]acetic acid has a molecular weight of 222.29 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[2-(dimethylamino)-5-ethylphenyl]acetic acid is sourced from PubChem (CID 117115118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).