2-(3-methoxyphenyl)-2-[methyl(2,2,2-trifluoroethyl)amino]acetic acid

C12H14F3NO3 — CID 134714258

IUPAC2-(3-methoxyphenyl)-2-[methyl(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCOc1cccc(C(C(=O)O)N(C)CC(F)(F)F)c1
InChIInChI=1S/C12H14F3NO3/c1-16(7-12(13,14)15)10(11(17)18)8-4-3-5-9(6-8)19-2/h3-6,10H,7H2,1-2H3,(H,17,18)
InChIKeyOCYKVQIRLSDYTL-UHFFFAOYSA-N
MW277.24 g/mol
LogP2.32
Rot. Bonds5

About 2-(3-methoxyphenyl)-2-[methyl(2,2,2-trifluoroethyl)amino]acetic acid

2-(3-methoxyphenyl)-2-[methyl(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 134714258) has the molecular formula C12H14F3NO3 and a molecular weight of 277.24 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-2-[methyl(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-2-[methyl(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID134714258
Molecular FormulaC12H14F3NO3
Molecular Weight277.24 g/mol
Exact Mass277.09
IUPAC Name2-(3-methoxyphenyl)-2-[methyl(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCOc1cccc(C(C(=O)O)N(C)CC(F)(F)F)c1
InChIInChI=1S/C12H14F3NO3/c1-16(7-12(13,14)15)10(11(17)18)8-4-3-5-9(6-8)19-2/h3-6,10H,7H2,1-2H3,(H,17,18)
InChIKeyOCYKVQIRLSDYTL-UHFFFAOYSA-N
XLogP2.32
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.24
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(dipropylamino)-2-(3-methoxyphenyl)acetic acid
CID 84746584
2,2-bis(3-methoxyphenyl)acetic acid
CID 67016131
2-[acetyl(ethyl)amino]-2-[3-(trifluoromethoxy)phenyl]acetic acid
CID 107104773
2-[acetyl(cyclopropyl)amino]-2-(3-methoxyphenyl)acetic acid
CID 63701640
3-fluoro-2-(3-methoxyphenyl)butanoic acid
CID 105465777
2-[(2-hydroxy-2-methylpropyl)-methylamino]-2-phenylacetic acid
CID 79387422
2-[cyclopropyl(formyl)amino]-2-(3-methoxyphenyl)acetic acid
CID 63689483
2-[butyl(methyl)amino]-2-(3-propan-2-yloxyphenyl)acetic acid
CID 84748524
3-fluoro-3-(3-methoxyphenyl)-2-methylpropanoic acid
CID 105465807
2-(3-methoxyphenyl)-3-sulfanylpropanoic acid
CID 117243551
2-[[3-(dimethylamino)-3-oxopropyl]-methylamino]-2-(6-methoxynaphthalen-2-yl)acetic acid
CID 134712158
methyl 3-(dimethylamino)-3-(3-methoxyphenyl)propanoate
CID 116910243

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-2-[methyl(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-(3-methoxyphenyl)-2-[methyl(2,2,2-trifluoroethyl)amino]acetic acid (CID 134714258) is 2-(3-methoxyphenyl)-2-[methyl(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-(3-methoxyphenyl)-2-[methyl(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-(3-methoxyphenyl)-2-[methyl(2,2,2-trifluoroethyl)amino]acetic acid is COc1cccc(C(C(=O)O)N(C)CC(F)(F)F)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-2-[methyl(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is OCYKVQIRLSDYTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO3/c1-16(7-12(13,14)15)10(11(17)18)8-4-3-5-9(6-8)19-2/h3-6,10H,7H2,1-2H3,(H,17,18).
What are the key properties of 2-(3-methoxyphenyl)-2-[methyl(2,2,2-trifluoroethyl)amino]acetic acid?
2-(3-methoxyphenyl)-2-[methyl(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 277.24 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-2-[methyl(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 134714258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).