2-[[2-(dimethoxymethyl)-5-fluoro-4-methylphenyl]methyl-(2,2-dimethylpropanoyl)amino]acetic acid

C18H26FNO5 — CID 142473576

IUPAC2-[[2-(dimethoxymethyl)-5-fluoro-4-methylphenyl]methyl-(2,2-dimethylpropanoyl)amino]acetic acid
SMILESCOC(OC)c1cc(C)c(F)cc1CN(CC(=O)O)C(=O)C(C)(C)C
InChIInChI=1S/C18H26FNO5/c1-11-7-13(16(24-5)25-6)12(8-14(11)19)9-20(10-15(21)22)17(23)18(2,3)4/h7-8,16H,9-10H2,1-6H3,(H,21,22)
InChIKeyCAJONUZGWWYUMH-UHFFFAOYSA-N
MW355.41 g/mol
LogP2.88
Rot. Bonds7

About 2-[[2-(dimethoxymethyl)-5-fluoro-4-methylphenyl]methyl-(2,2-dimethylpropanoyl)amino]acetic acid

2-[[2-(dimethoxymethyl)-5-fluoro-4-methylphenyl]methyl-(2,2-dimethylpropanoyl)amino]acetic acid (PubChem CID 142473576) has the molecular formula C18H26FNO5 and a molecular weight of 355.41 g/mol. Its IUPAC name is 2-[[2-(dimethoxymethyl)-5-fluoro-4-methylphenyl]methyl-(2,2-dimethylpropanoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(dimethoxymethyl)-5-fluoro-4-methylphenyl]methyl-(2,2-dimethylpropanoyl)amino]acetic acid
PubChem CID142473576
Molecular FormulaC18H26FNO5
Molecular Weight355.41 g/mol
Exact Mass355.18
IUPAC Name2-[[2-(dimethoxymethyl)-5-fluoro-4-methylphenyl]methyl-(2,2-dimethylpropanoyl)amino]acetic acid
SMILESCOC(OC)c1cc(C)c(F)cc1CN(CC(=O)O)C(=O)C(C)(C)C
InChIInChI=1S/C18H26FNO5/c1-11-7-13(16(24-5)25-6)12(8-14(11)19)9-20(10-15(21)22)17(23)18(2,3)4/h7-8,16H,9-10H2,1-6H3,(H,21,22)
InChIKeyCAJONUZGWWYUMH-UHFFFAOYSA-N
XLogP2.88
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[(2-tert-butylphenyl)methyl-(2,2-dimethylpropanoyl)amino]acetic acid
CID 159229213
2-(5-fluoro-2-methoxy-4-methylphenyl)acetic acid
CID 84668061
2-[(2,4-difluorophenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
CID 176575788
2-[2-(2,4-difluoro-5-methylphenyl)-2-hydroxyethoxy]acetic acid
CID 79733291
2-[2,2-dimethylpropanoyl(pyridin-2-ylmethyl)amino]acetic acid
CID 20627822
tert-butyl N-[(2-bromo-5-fluoro-4-methylphenyl)methyl]-N-propylcarbamate
CID 172913928
3-amino-3-(5-fluoro-2-methoxy-4-methylphenyl)propanoic acid
CID 84691033
2-[(3-fluoro-4-methylphenyl)methyl-propan-2-ylamino]acetic acid
CID 65056699
2-(2-amino-4-fluoro-N,5-dimethylanilino)acetic acid
CID 103590283
N,2,2-trimethyl-N-[(2,3,5-trifluorophenyl)methyl]propanamide
CID 121446878
2-(2-chloro-4-fluoro-5-methylphenyl)acetic acid
CID 119005832
3-(5-fluoro-2,4-dimethylphenyl)-2-methylpropanoic acid
CID 84781211

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(dimethoxymethyl)-5-fluoro-4-methylphenyl]methyl-(2,2-dimethylpropanoyl)amino]acetic acid?
The IUPAC name of 2-[[2-(dimethoxymethyl)-5-fluoro-4-methylphenyl]methyl-(2,2-dimethylpropanoyl)amino]acetic acid (CID 142473576) is 2-[[2-(dimethoxymethyl)-5-fluoro-4-methylphenyl]methyl-(2,2-dimethylpropanoyl)amino]acetic acid.
What is the SMILES notation for 2-[[2-(dimethoxymethyl)-5-fluoro-4-methylphenyl]methyl-(2,2-dimethylpropanoyl)amino]acetic acid?
The canonical SMILES for 2-[[2-(dimethoxymethyl)-5-fluoro-4-methylphenyl]methyl-(2,2-dimethylpropanoyl)amino]acetic acid is COC(OC)c1cc(C)c(F)cc1CN(CC(=O)O)C(=O)C(C)(C)C.
What is the InChIKey of 2-[[2-(dimethoxymethyl)-5-fluoro-4-methylphenyl]methyl-(2,2-dimethylpropanoyl)amino]acetic acid?
The InChIKey is CAJONUZGWWYUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FNO5/c1-11-7-13(16(24-5)25-6)12(8-14(11)19)9-20(10-15(21)22)17(23)18(2,3)4/h7-8,16H,9-10H2,1-6H3,(H,21,22).
What are the key properties of 2-[[2-(dimethoxymethyl)-5-fluoro-4-methylphenyl]methyl-(2,2-dimethylpropanoyl)amino]acetic acid?
2-[[2-(dimethoxymethyl)-5-fluoro-4-methylphenyl]methyl-(2,2-dimethylpropanoyl)amino]acetic acid has a molecular weight of 355.41 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(dimethoxymethyl)-5-fluoro-4-methylphenyl]methyl-(2,2-dimethylpropanoyl)amino]acetic acid is sourced from PubChem (CID 142473576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).