methyl 2-(2-methylnaphthalen-1-yl)-2-[(2,2,2-trifluoroacetyl)amino]acetate

C16H14F3NO3 — CID 23091528

IUPACmethyl 2-(2-methylnaphthalen-1-yl)-2-[(2,2,2-trifluoroacetyl)amino]acetate
SMILESCOC(=O)C(NC(=O)C(F)(F)F)c1c(C)ccc2ccccc12
InChIInChI=1S/C16H14F3NO3/c1-9-7-8-10-5-3-4-6-11(10)12(9)13(14(21)23-2)20-15(22)16(17,18)19/h3-8,13H,1-2H3,(H,20,22)
InChIKeyYSZHDBIZUOZKIK-UHFFFAOYSA-N
MW325.29 g/mol
LogP3.04
Rot. Bonds3

About methyl 2-(2-methylnaphthalen-1-yl)-2-[(2,2,2-trifluoroacetyl)amino]acetate

methyl 2-(2-methylnaphthalen-1-yl)-2-[(2,2,2-trifluoroacetyl)amino]acetate (PubChem CID 23091528) has the molecular formula C16H14F3NO3 and a molecular weight of 325.29 g/mol. Its IUPAC name is methyl 2-(2-methylnaphthalen-1-yl)-2-[(2,2,2-trifluoroacetyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-(2-methylnaphthalen-1-yl)-2-[(2,2,2-trifluoroacetyl)amino]acetate
PubChem CID23091528
Molecular FormulaC16H14F3NO3
Molecular Weight325.29 g/mol
Exact Mass325.09
IUPAC Namemethyl 2-(2-methylnaphthalen-1-yl)-2-[(2,2,2-trifluoroacetyl)amino]acetate
SMILESCOC(=O)C(NC(=O)C(F)(F)F)c1c(C)ccc2ccccc12
InChIInChI=1S/C16H14F3NO3/c1-9-7-8-10-5-3-4-6-11(10)12(9)13(14(21)23-2)20-15(22)16(17,18)19/h3-8,13H,1-2H3,(H,20,22)
InChIKeyYSZHDBIZUOZKIK-UHFFFAOYSA-N
XLogP3.04
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2R)-4-methyl-2-(naphthalene-2-carbonylamino)pentanoate
CID 41589796
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CID 11014865
tert-butyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-naphthalen-2-ylacetate
CID 42628234
2-[(2-Naphthalen-2-ylacetyl)amino]octanoic acid
CID 44601510
Phenyl-[(3-phenyl-naphthalene-1-carbonyl)-amino]-acetic acid methyl ester
CID 10430798
tert-butyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-naphthalen-2-ylacetate
CID 42628233
Naphthalen-1-yl-(3-trifluoromethyl-benzylamino)-acetic acid
CID 44277103
(R)-2-(2-naphthamido)-3-(3-(trifluoromethyl)phenyl)propanoic acid
CID 46884048
(R)-2-(2-naphthamido)-3-(3,4,5-trifluorophenyl)propanoic acid
CID 46884113
(2R)-3-(3-fluorophenyl)-2-(naphthalene-2-carbonylamino)propanoate
CID 72200001
(2R)-2-[[4-methyl-3-[(E)-prop-1-enyl]benzoyl]amino]-3-[4-[3-(trifluoromethyl)phenyl]phenyl]propanoic acid
CID 118722768
Methyl 2-amino-2-(naphthalen-2-yl)acetate
CID 3507541

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-methylnaphthalen-1-yl)-2-[(2,2,2-trifluoroacetyl)amino]acetate?
The IUPAC name of methyl 2-(2-methylnaphthalen-1-yl)-2-[(2,2,2-trifluoroacetyl)amino]acetate (CID 23091528) is methyl 2-(2-methylnaphthalen-1-yl)-2-[(2,2,2-trifluoroacetyl)amino]acetate.
What is the SMILES notation for methyl 2-(2-methylnaphthalen-1-yl)-2-[(2,2,2-trifluoroacetyl)amino]acetate?
The canonical SMILES for methyl 2-(2-methylnaphthalen-1-yl)-2-[(2,2,2-trifluoroacetyl)amino]acetate is COC(=O)C(NC(=O)C(F)(F)F)c1c(C)ccc2ccccc12.
What is the InChIKey of methyl 2-(2-methylnaphthalen-1-yl)-2-[(2,2,2-trifluoroacetyl)amino]acetate?
The InChIKey is YSZHDBIZUOZKIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NO3/c1-9-7-8-10-5-3-4-6-11(10)12(9)13(14(21)23-2)20-15(22)16(17,18)19/h3-8,13H,1-2H3,(H,20,22).
What are the key properties of methyl 2-(2-methylnaphthalen-1-yl)-2-[(2,2,2-trifluoroacetyl)amino]acetate?
methyl 2-(2-methylnaphthalen-1-yl)-2-[(2,2,2-trifluoroacetyl)amino]acetate has a molecular weight of 325.29 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-methylnaphthalen-1-yl)-2-[(2,2,2-trifluoroacetyl)amino]acetate is sourced from PubChem (CID 23091528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).