methyl (2S)-2-acetamido-3-naphthalen-2-ylpropanoate

C16H17NO3 — CID 11323214

IUPACmethyl (2S)-2-acetamido-3-naphthalen-2-ylpropanoate
SMILESCOC(=O)[C@H](Cc1ccc2ccccc2c1)NC(C)=O
InChIInChI=1S/C16H17NO3/c1-11(18)17-15(16(19)20-2)10-12-7-8-13-5-3-4-6-14(13)9-12/h3-9,15H,10H2,1-2H3,(H,17,18)/t15-/m0/s1
InChIKeyQTVYFTBLDIZYIS-HNNXBMFYSA-N
MW271.32 g/mol
LogP2.06
Rot. Bonds4

About methyl (2S)-2-acetamido-3-naphthalen-2-ylpropanoate

methyl (2S)-2-acetamido-3-naphthalen-2-ylpropanoate (PubChem CID 11323214) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is methyl (2S)-2-acetamido-3-naphthalen-2-ylpropanoate.

Molecular Properties

Compound Namemethyl (2S)-2-acetamido-3-naphthalen-2-ylpropanoate
PubChem CID11323214
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Namemethyl (2S)-2-acetamido-3-naphthalen-2-ylpropanoate
SMILESCOC(=O)[C@H](Cc1ccc2ccccc2c1)NC(C)=O
InChIInChI=1S/C16H17NO3/c1-11(18)17-15(16(19)20-2)10-12-7-8-13-5-3-4-6-14(13)9-12/h3-9,15H,10H2,1-2H3,(H,17,18)/t15-/m0/s1
InChIKeyQTVYFTBLDIZYIS-HNNXBMFYSA-N
XLogP2.06
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl (2S)-2-acetamido-3-naphthalen-2-ylpropanoate 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-acetamido-3-naphthalen-2-ylpropanoate?
The IUPAC name of methyl (2S)-2-acetamido-3-naphthalen-2-ylpropanoate (CID 11323214) is methyl (2S)-2-acetamido-3-naphthalen-2-ylpropanoate.
What is the SMILES notation for methyl (2S)-2-acetamido-3-naphthalen-2-ylpropanoate?
The canonical SMILES for methyl (2S)-2-acetamido-3-naphthalen-2-ylpropanoate is COC(=O)[C@H](Cc1ccc2ccccc2c1)NC(C)=O.
What is the InChIKey of methyl (2S)-2-acetamido-3-naphthalen-2-ylpropanoate?
The InChIKey is QTVYFTBLDIZYIS-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-11(18)17-15(16(19)20-2)10-12-7-8-13-5-3-4-6-14(13)9-12/h3-9,15H,10H2,1-2H3,(H,17,18)/t15-/m0/s1.
What are the key properties of methyl (2S)-2-acetamido-3-naphthalen-2-ylpropanoate?
methyl (2S)-2-acetamido-3-naphthalen-2-ylpropanoate has a molecular weight of 271.32 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-acetamido-3-naphthalen-2-ylpropanoate is sourced from PubChem (CID 11323214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).