2-[[2-(2-phenylmethoxyphenoxy)acetyl]-propan-2-ylamino]acetic acid

C20H23NO5 — CID 119198036

IUPAC2-[[2-(2-phenylmethoxyphenoxy)acetyl]-propan-2-ylamino]acetic acid
SMILESCC(C)N(CC(=O)O)C(=O)COc1ccccc1OCc1ccccc1
InChIInChI=1S/C20H23NO5/c1-15(2)21(12-20(23)24)19(22)14-26-18-11-7-6-10-17(18)25-13-16-8-4-3-5-9-16/h3-11,15H,12-14H2,1-2H3,(H,23,24)
InChIKeyIKYWIGZRJUKXIO-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.97
Rot. Bonds9

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

2-[[2-(2-phenylmethoxyphenoxy)acetyl]-propan-2-ylamino]acetic acid (PubChem CID 119198036) has the molecular formula C20H23NO5 and a molecular weight of 357.41 g/mol. Its IUPAC name is 2-[[2-(2-phenylmethoxyphenoxy)acetyl]-propan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-(2-phenylmethoxyphenoxy)acetyl]-propan-2-ylamino]acetic acid
PubChem CID119198036
Molecular FormulaC20H23NO5
Molecular Weight357.41 g/mol
Exact Mass357.16
IUPAC Name2-[[2-(2-phenylmethoxyphenoxy)acetyl]-propan-2-ylamino]acetic acid
SMILESCC(C)N(CC(=O)O)C(=O)COc1ccccc1OCc1ccccc1
InChIInChI=1S/C20H23NO5/c1-15(2)21(12-20(23)24)19(22)14-26-18-11-7-6-10-17(18)25-13-16-8-4-3-5-9-16/h3-11,15H,12-14H2,1-2H3,(H,23,24)
InChIKeyIKYWIGZRJUKXIO-UHFFFAOYSA-N
XLogP2.97
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(2-cyanophenoxy)acetyl]-propan-2-ylamino]acetic acid
CID 60832205
2-[[2-(4-fluorophenoxy)acetyl]-propan-2-ylamino]acetic acid
CID 55020988
2-[butan-2-yl-[2-(2-chlorophenoxy)acetyl]amino]acetic acid
CID 60829928
ethyl 2-[[2-(2-methylphenoxy)acetyl]-propan-2-ylamino]acetate
CID 61022066
methyl 2-[[2-(2-phenylphenoxy)acetyl]-propan-2-ylamino]acetate
CID 78878045
2-[[2-(2-bromo-4-chlorophenoxy)acetyl]-propan-2-ylamino]acetic acid
CID 60831363
2-[propan-2-yl-[2-(2,3,5,6-tetrafluorophenoxy)acetyl]amino]acetic acid
CID 170381930
2-[4-(2-methylphenoxy)butanoyl-propan-2-ylamino]acetic acid
CID 60832572
ethyl 2-[[2-(2-chlorophenoxy)acetyl]-propan-2-ylamino]acetate
CID 61022317
2-[(2-methoxyacetyl)-propan-2-ylamino]acetic acid
CID 61276953
2-[[2-[(2-ethoxybenzoyl)amino]acetyl]-propan-2-ylamino]acetic acid
CID 120518304
(2R)-2-(2-phenylmethoxyphenyl)propanoic acid
CID 129363475

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-phenylmethoxyphenoxy)acetyl]-propan-2-ylamino]acetic acid?
The IUPAC name of 2-[[2-(2-phenylmethoxyphenoxy)acetyl]-propan-2-ylamino]acetic acid (CID 119198036) is 2-[[2-(2-phenylmethoxyphenoxy)acetyl]-propan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[[2-(2-phenylmethoxyphenoxy)acetyl]-propan-2-ylamino]acetic acid?
The canonical SMILES for 2-[[2-(2-phenylmethoxyphenoxy)acetyl]-propan-2-ylamino]acetic acid is CC(C)N(CC(=O)O)C(=O)COc1ccccc1OCc1ccccc1.
What is the InChIKey of 2-[[2-(2-phenylmethoxyphenoxy)acetyl]-propan-2-ylamino]acetic acid?
The InChIKey is IKYWIGZRJUKXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO5/c1-15(2)21(12-20(23)24)19(22)14-26-18-11-7-6-10-17(18)25-13-16-8-4-3-5-9-16/h3-11,15H,12-14H2,1-2H3,(H,23,24).
What are the key properties of 2-[[2-(2-phenylmethoxyphenoxy)acetyl]-propan-2-ylamino]acetic acid?
2-[[2-(2-phenylmethoxyphenoxy)acetyl]-propan-2-ylamino]acetic acid has a molecular weight of 357.41 g/mol, XLogP of 2.97, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-phenylmethoxyphenoxy)acetyl]-propan-2-ylamino]acetic acid is sourced from PubChem (CID 119198036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).