methyl (2S)-2-[naphthalen-1-yl-(2,2,2-trifluoroacetyl)amino]propanoate

C16H14F3NO3 — CID 87160948

IUPACmethyl (2S)-2-[naphthalen-1-yl-(2,2,2-trifluoroacetyl)amino]propanoate
SMILESCOC(=O)[C@H](C)N(C(=O)C(F)(F)F)c1cccc2ccccc12
InChIInChI=1S/C16H14F3NO3/c1-10(14(21)23-2)20(15(22)16(17,18)19)13-9-5-7-11-6-3-4-8-12(11)13/h3-10H,1-2H3/t10-/m0/s1
InChIKeySSWPPPSNGDMILH-JTQLQIEISA-N
MW325.29 g/mol
LogP3.30
Rot. Bonds3

About methyl (2S)-2-[naphthalen-1-yl-(2,2,2-trifluoroacetyl)amino]propanoate

methyl (2S)-2-[naphthalen-1-yl-(2,2,2-trifluoroacetyl)amino]propanoate (PubChem CID 87160948) has the molecular formula C16H14F3NO3 and a molecular weight of 325.29 g/mol. Its IUPAC name is methyl (2S)-2-[naphthalen-1-yl-(2,2,2-trifluoroacetyl)amino]propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[naphthalen-1-yl-(2,2,2-trifluoroacetyl)amino]propanoate
PubChem CID87160948
Molecular FormulaC16H14F3NO3
Molecular Weight325.29 g/mol
Exact Mass325.09
IUPAC Namemethyl (2S)-2-[naphthalen-1-yl-(2,2,2-trifluoroacetyl)amino]propanoate
SMILESCOC(=O)[C@H](C)N(C(=O)C(F)(F)F)c1cccc2ccccc12
InChIInChI=1S/C16H14F3NO3/c1-10(14(21)23-2)20(15(22)16(17,18)19)13-9-5-7-11-6-3-4-8-12(11)13/h3-10H,1-2H3/t10-/m0/s1
InChIKeySSWPPPSNGDMILH-JTQLQIEISA-N
XLogP3.30
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl (2S)-2-[naphthalen-1-yl-(2,2,2-trifluoroacetyl)amino]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[naphthalen-1-yl-(2,2,2-trifluoroacetyl)amino]propanoate?
The IUPAC name of methyl (2S)-2-[naphthalen-1-yl-(2,2,2-trifluoroacetyl)amino]propanoate (CID 87160948) is methyl (2S)-2-[naphthalen-1-yl-(2,2,2-trifluoroacetyl)amino]propanoate.
What is the SMILES notation for methyl (2S)-2-[naphthalen-1-yl-(2,2,2-trifluoroacetyl)amino]propanoate?
The canonical SMILES for methyl (2S)-2-[naphthalen-1-yl-(2,2,2-trifluoroacetyl)amino]propanoate is COC(=O)[C@H](C)N(C(=O)C(F)(F)F)c1cccc2ccccc12.
What is the InChIKey of methyl (2S)-2-[naphthalen-1-yl-(2,2,2-trifluoroacetyl)amino]propanoate?
The InChIKey is SSWPPPSNGDMILH-JTQLQIEISA-N. The full InChI is InChI=1S/C16H14F3NO3/c1-10(14(21)23-2)20(15(22)16(17,18)19)13-9-5-7-11-6-3-4-8-12(11)13/h3-10H,1-2H3/t10-/m0/s1.
What are the key properties of methyl (2S)-2-[naphthalen-1-yl-(2,2,2-trifluoroacetyl)amino]propanoate?
methyl (2S)-2-[naphthalen-1-yl-(2,2,2-trifluoroacetyl)amino]propanoate has a molecular weight of 325.29 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[naphthalen-1-yl-(2,2,2-trifluoroacetyl)amino]propanoate is sourced from PubChem (CID 87160948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).