2-[[2-(2,6-difluorophenyl)acetyl]-[(3,5-dimethoxyphenyl)methyl]amino]acetic acid

C19H19F2NO5 — CID 120518105

IUPAC2-[[2-(2,6-difluorophenyl)acetyl]-[(3,5-dimethoxyphenyl)methyl]amino]acetic acid
SMILESCOc1cc(CN(CC(=O)O)C(=O)Cc2c(F)cccc2F)cc(OC)c1
InChIInChI=1S/C19H19F2NO5/c1-26-13-6-12(7-14(8-13)27-2)10-22(11-19(24)25)18(23)9-15-16(20)4-3-5-17(15)21/h3-8H,9-11H2,1-2H3,(H,24,25)
InChIKeyIRXAGVKAUWSCMT-UHFFFAOYSA-N
MW379.36 g/mol
LogP2.64
Rot. Bonds8

About 2-[[2-(2,6-difluorophenyl)acetyl]-[(3,5-dimethoxyphenyl)methyl]amino]acetic acid

2-[[2-(2,6-difluorophenyl)acetyl]-[(3,5-dimethoxyphenyl)methyl]amino]acetic acid (PubChem CID 120518105) has the molecular formula C19H19F2NO5 and a molecular weight of 379.36 g/mol. Its IUPAC name is 2-[[2-(2,6-difluorophenyl)acetyl]-[(3,5-dimethoxyphenyl)methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(2,6-difluorophenyl)acetyl]-[(3,5-dimethoxyphenyl)methyl]amino]acetic acid
PubChem CID120518105
Molecular FormulaC19H19F2NO5
Molecular Weight379.36 g/mol
Exact Mass379.12
IUPAC Name2-[[2-(2,6-difluorophenyl)acetyl]-[(3,5-dimethoxyphenyl)methyl]amino]acetic acid
SMILESCOc1cc(CN(CC(=O)O)C(=O)Cc2c(F)cccc2F)cc(OC)c1
InChIInChI=1S/C19H19F2NO5/c1-26-13-6-12(7-14(8-13)27-2)10-22(11-19(24)25)18(23)9-15-16(20)4-3-5-17(15)21/h3-8H,9-11H2,1-2H3,(H,24,25)
InChIKeyIRXAGVKAUWSCMT-UHFFFAOYSA-N
XLogP2.64
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.36
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[2-(2,6-difluorophenyl)acetyl]-[(3,5-dimethoxyphenyl)methyl]amino]acetic acid with MolForge

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Related Compounds

2-[(3,5-dimethoxyphenyl)methyl-[2-(3-methoxyphenyl)acetyl]amino]acetic acid
CID 119197685
2-[(3,5-dimethoxyphenyl)methyl-(4-phenylbutanoyl)amino]acetic acid
CID 119197642
2-[(3,5-dimethoxyphenyl)methyl-(2-ethoxyacetyl)amino]acetic acid
CID 119197506
2-[(3,5-dimethoxyphenyl)methyl-[2-(2H-indazol-3-yl)acetyl]amino]acetic acid
CID 119197747
2-[(3,5-dimethoxyphenyl)methyl-pent-4-enoylamino]acetic acid
CID 119197558
2-[(3,5-dimethoxyphenyl)methyl-(4-fluoro-2-methylbenzoyl)amino]acetic acid
CID 120518096
2-[(4-chlorophenyl)methyl-[3-(3-methoxyphenyl)propanoyl]amino]acetic acid
CID 119193500
2-[(3,5-dimethoxyphenyl)methyl-(5-fluoro-2-methoxybenzoyl)amino]acetic acid
CID 120976580
2-[(3,5-dimethoxyphenyl)methyl-(3-thiophen-3-ylpropanoyl)amino]acetic acid
CID 119197524
2-[[2-(butanoylamino)acetyl]-[(3,5-dimethoxyphenyl)methyl]amino]acetic acid
CID 119197704
2-[(4,5-diethylfuran-2-carbonyl)-[(3,5-dimethoxyphenyl)methyl]amino]acetic acid
CID 120686230
2-[(3,4-dimethoxybenzoyl)-[(3,5-dimethoxyphenyl)methyl]amino]acetic acid
CID 119197682

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,6-difluorophenyl)acetyl]-[(3,5-dimethoxyphenyl)methyl]amino]acetic acid?
The IUPAC name of 2-[[2-(2,6-difluorophenyl)acetyl]-[(3,5-dimethoxyphenyl)methyl]amino]acetic acid (CID 120518105) is 2-[[2-(2,6-difluorophenyl)acetyl]-[(3,5-dimethoxyphenyl)methyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-(2,6-difluorophenyl)acetyl]-[(3,5-dimethoxyphenyl)methyl]amino]acetic acid?
The canonical SMILES for 2-[[2-(2,6-difluorophenyl)acetyl]-[(3,5-dimethoxyphenyl)methyl]amino]acetic acid is COc1cc(CN(CC(=O)O)C(=O)Cc2c(F)cccc2F)cc(OC)c1.
What is the InChIKey of 2-[[2-(2,6-difluorophenyl)acetyl]-[(3,5-dimethoxyphenyl)methyl]amino]acetic acid?
The InChIKey is IRXAGVKAUWSCMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2NO5/c1-26-13-6-12(7-14(8-13)27-2)10-22(11-19(24)25)18(23)9-15-16(20)4-3-5-17(15)21/h3-8H,9-11H2,1-2H3,(H,24,25).
What are the key properties of 2-[[2-(2,6-difluorophenyl)acetyl]-[(3,5-dimethoxyphenyl)methyl]amino]acetic acid?
2-[[2-(2,6-difluorophenyl)acetyl]-[(3,5-dimethoxyphenyl)methyl]amino]acetic acid has a molecular weight of 379.36 g/mol, XLogP of 2.64, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,6-difluorophenyl)acetyl]-[(3,5-dimethoxyphenyl)methyl]amino]acetic acid is sourced from PubChem (CID 120518105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).