2-(3-ethoxyphenyl)-2-[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]acetic acid

C16H20N2O4 — CID 72932050

IUPAC2-(3-ethoxyphenyl)-2-[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]acetic acid
SMILESCCOc1cccc(C(C(=O)O)N(C)Cc2cc(C)no2)c1
InChIInChI=1S/C16H20N2O4/c1-4-21-13-7-5-6-12(9-13)15(16(19)20)18(3)10-14-8-11(2)17-22-14/h5-9,15H,4,10H2,1-3H3,(H,19,20)
InChIKeyASVICDUWELDAEL-UHFFFAOYSA-N
MW304.35 g/mol
LogP2.64
Rot. Bonds7

About 2-(3-ethoxyphenyl)-2-[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]acetic acid

2-(3-ethoxyphenyl)-2-[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]acetic acid (PubChem CID 72932050) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is 2-(3-ethoxyphenyl)-2-[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]acetic acid.

Molecular Properties

Compound Name2-(3-ethoxyphenyl)-2-[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]acetic acid
PubChem CID72932050
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Name2-(3-ethoxyphenyl)-2-[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]acetic acid
SMILESCCOc1cccc(C(C(=O)O)N(C)Cc2cc(C)no2)c1
InChIInChI=1S/C16H20N2O4/c1-4-21-13-7-5-6-12(9-13)15(16(19)20)18(3)10-14-8-11(2)17-22-14/h5-9,15H,4,10H2,1-3H3,(H,19,20)
InChIKeyASVICDUWELDAEL-UHFFFAOYSA-N
XLogP2.64
TPSA75.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxyphenyl)-2-[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]acetic acid?
The IUPAC name of 2-(3-ethoxyphenyl)-2-[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]acetic acid (CID 72932050) is 2-(3-ethoxyphenyl)-2-[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]acetic acid.
What is the SMILES notation for 2-(3-ethoxyphenyl)-2-[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]acetic acid?
The canonical SMILES for 2-(3-ethoxyphenyl)-2-[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]acetic acid is CCOc1cccc(C(C(=O)O)N(C)Cc2cc(C)no2)c1.
What is the InChIKey of 2-(3-ethoxyphenyl)-2-[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]acetic acid?
The InChIKey is ASVICDUWELDAEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4/c1-4-21-13-7-5-6-12(9-13)15(16(19)20)18(3)10-14-8-11(2)17-22-14/h5-9,15H,4,10H2,1-3H3,(H,19,20).
What are the key properties of 2-(3-ethoxyphenyl)-2-[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]acetic acid?
2-(3-ethoxyphenyl)-2-[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]acetic acid has a molecular weight of 304.35 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxyphenyl)-2-[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]acetic acid is sourced from PubChem (CID 72932050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).