2-[(5-acetyl-2-ethoxyphenyl)methyl-methylamino]acetic acid

C14H19NO4 — CID 43442595

IUPAC2-[(5-acetyl-2-ethoxyphenyl)methyl-methylamino]acetic acid
SMILESCCOc1ccc(C(C)=O)cc1CN(C)CC(=O)O
InChIInChI=1S/C14H19NO4/c1-4-19-13-6-5-11(10(2)16)7-12(13)8-15(3)9-14(17)18/h5-7H,4,8-9H2,1-3H3,(H,17,18)
InChIKeyUWDHCMUZCQZBEJ-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.80
Rot. Bonds7

About 2-[(5-acetyl-2-ethoxyphenyl)methyl-methylamino]acetic acid

2-[(5-acetyl-2-ethoxyphenyl)methyl-methylamino]acetic acid (PubChem CID 43442595) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[(5-acetyl-2-ethoxyphenyl)methyl-methylamino]acetic acid.

Molecular Properties

Compound Name2-[(5-acetyl-2-ethoxyphenyl)methyl-methylamino]acetic acid
PubChem CID43442595
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name2-[(5-acetyl-2-ethoxyphenyl)methyl-methylamino]acetic acid
SMILESCCOc1ccc(C(C)=O)cc1CN(C)CC(=O)O
InChIInChI=1S/C14H19NO4/c1-4-19-13-6-5-11(10(2)16)7-12(13)8-15(3)9-14(17)18/h5-7H,4,8-9H2,1-3H3,(H,17,18)
InChIKeyUWDHCMUZCQZBEJ-UHFFFAOYSA-N
XLogP1.80
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-ethoxy-3-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]ethanone
CID 60683609
1-[3-[[2-aminoethyl(methyl)amino]methyl]-4-ethoxyphenyl]ethanone
CID 62687564
methyl 3-[(5-acetyl-2-ethoxyphenyl)methyl-methylamino]propanoate
CID 62012473
1-[3-[[cyclopropylmethyl(methyl)amino]methyl]-4-ethoxyphenyl]ethanone
CID 54880473
2-[(5-acetyl-2-ethoxyphenyl)methyl-methylamino]-N-(4-fluorophenyl)acetamide
CID 9252847
1-[4-ethoxy-3-[[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]methyl]phenyl]ethanone
CID 112812859
3-[(5-acetyl-2-ethoxyphenyl)methyl-ethylamino]propanoic acid
CID 61009502
2-[(5-acetyl-2-ethoxyphenyl)methylsulfanyl]acetic acid
CID 43237581
2-[(5-amino-2-ethoxyphenyl)methyl-methylamino]acetamide
CID 43373771
1-[3-[[azetidin-3-yl(ethyl)amino]methyl]-4-ethoxyphenyl]ethanone
CID 66182584
N-[(5-acetyl-2-ethoxyphenyl)methyl]-4-fluoro-N-methylbenzenesulfonamide
CID 112787896
2-[(3-ethoxy-5-formyl-2-hydroxyphenyl)methyl-methylamino]acetic acid
CID 119028197

Frequently Asked Questions

What is the IUPAC name of 2-[(5-acetyl-2-ethoxyphenyl)methyl-methylamino]acetic acid?
The IUPAC name of 2-[(5-acetyl-2-ethoxyphenyl)methyl-methylamino]acetic acid (CID 43442595) is 2-[(5-acetyl-2-ethoxyphenyl)methyl-methylamino]acetic acid.
What is the SMILES notation for 2-[(5-acetyl-2-ethoxyphenyl)methyl-methylamino]acetic acid?
The canonical SMILES for 2-[(5-acetyl-2-ethoxyphenyl)methyl-methylamino]acetic acid is CCOc1ccc(C(C)=O)cc1CN(C)CC(=O)O.
What is the InChIKey of 2-[(5-acetyl-2-ethoxyphenyl)methyl-methylamino]acetic acid?
The InChIKey is UWDHCMUZCQZBEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-4-19-13-6-5-11(10(2)16)7-12(13)8-15(3)9-14(17)18/h5-7H,4,8-9H2,1-3H3,(H,17,18).
What are the key properties of 2-[(5-acetyl-2-ethoxyphenyl)methyl-methylamino]acetic acid?
2-[(5-acetyl-2-ethoxyphenyl)methyl-methylamino]acetic acid has a molecular weight of 265.31 g/mol, XLogP of 1.80, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-acetyl-2-ethoxyphenyl)methyl-methylamino]acetic acid is sourced from PubChem (CID 43442595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).