2-[[2-(4-fluorophenoxy)acetyl]-propan-2-ylamino]acetic acid

C13H16FNO4 — CID 55020988

IUPAC2-[[2-(4-fluorophenoxy)acetyl]-propan-2-ylamino]acetic acid
SMILESCC(C)N(CC(=O)O)C(=O)COc1ccc(F)cc1
InChIInChI=1S/C13H16FNO4/c1-9(2)15(7-13(17)18)12(16)8-19-11-5-3-10(14)4-6-11/h3-6,9H,7-8H2,1-2H3,(H,17,18)
InChIKeySWXHWSMOCWZUOD-UHFFFAOYSA-N
MW269.27 g/mol
LogP1.53
Rot. Bonds6

About 2-[[2-(4-fluorophenoxy)acetyl]-propan-2-ylamino]acetic acid

2-[[2-(4-fluorophenoxy)acetyl]-propan-2-ylamino]acetic acid (PubChem CID 55020988) has the molecular formula C13H16FNO4 and a molecular weight of 269.27 g/mol. Its IUPAC name is 2-[[2-(4-fluorophenoxy)acetyl]-propan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-(4-fluorophenoxy)acetyl]-propan-2-ylamino]acetic acid
PubChem CID55020988
Molecular FormulaC13H16FNO4
Molecular Weight269.27 g/mol
Exact Mass269.11
IUPAC Name2-[[2-(4-fluorophenoxy)acetyl]-propan-2-ylamino]acetic acid
SMILESCC(C)N(CC(=O)O)C(=O)COc1ccc(F)cc1
InChIInChI=1S/C13H16FNO4/c1-9(2)15(7-13(17)18)12(16)8-19-11-5-3-10(14)4-6-11/h3-6,9H,7-8H2,1-2H3,(H,17,18)
InChIKeySWXHWSMOCWZUOD-UHFFFAOYSA-N
XLogP1.53
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[butan-2-yl-[2-(4-ethoxyphenoxy)acetyl]amino]acetic acid
CID 119954855
2-[butan-2-yl-[2-(4-methylphenoxy)acetyl]amino]acetic acid
CID 60829574
2-[propan-2-yl-[2-(2,3,5,6-tetrafluorophenoxy)acetyl]amino]acetic acid
CID 170381930
2-[cyclopropyl-[2-(4-fluorophenoxy)acetyl]amino]acetic acid
CID 54945921
2-[[2-(2-phenylmethoxyphenoxy)acetyl]-propan-2-ylamino]acetic acid
CID 119198036
3-[[2-(4-fluorophenoxy)acetyl]-(2-methylpropyl)amino]propanoic acid
CID 119190370
2-[3-(4-ethoxyphenyl)propanoyl-propan-2-ylamino]acetic acid
CID 119198001
4-[[2-(3-fluorophenoxy)acetyl]-propan-2-ylamino]butanoic acid
CID 60827253
2-[[2-(2-cyanophenoxy)acetyl]-propan-2-ylamino]acetic acid
CID 60832205
2-[(2-methoxyacetyl)-propan-2-ylamino]acetic acid
CID 61276953
2-[(2-ethoxyacetyl)-propan-2-ylamino]acetic acid
CID 60831185
4-[2-[ethyl-[1-(4-fluorophenyl)ethyl]amino]-2-oxoethoxy]benzamide
CID 87018231

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-fluorophenoxy)acetyl]-propan-2-ylamino]acetic acid?
The IUPAC name of 2-[[2-(4-fluorophenoxy)acetyl]-propan-2-ylamino]acetic acid (CID 55020988) is 2-[[2-(4-fluorophenoxy)acetyl]-propan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[[2-(4-fluorophenoxy)acetyl]-propan-2-ylamino]acetic acid?
The canonical SMILES for 2-[[2-(4-fluorophenoxy)acetyl]-propan-2-ylamino]acetic acid is CC(C)N(CC(=O)O)C(=O)COc1ccc(F)cc1.
What is the InChIKey of 2-[[2-(4-fluorophenoxy)acetyl]-propan-2-ylamino]acetic acid?
The InChIKey is SWXHWSMOCWZUOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO4/c1-9(2)15(7-13(17)18)12(16)8-19-11-5-3-10(14)4-6-11/h3-6,9H,7-8H2,1-2H3,(H,17,18).
What are the key properties of 2-[[2-(4-fluorophenoxy)acetyl]-propan-2-ylamino]acetic acid?
2-[[2-(4-fluorophenoxy)acetyl]-propan-2-ylamino]acetic acid has a molecular weight of 269.27 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-fluorophenoxy)acetyl]-propan-2-ylamino]acetic acid is sourced from PubChem (CID 55020988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).