methyl (2S)-3-[2-ethoxyethyl-[2-(2-fluorophenyl)acetyl]amino]-2-methylpropanoate

C17H24FNO4 — CID 95299216

IUPACmethyl (2S)-3-[2-ethoxyethyl-[2-(2-fluorophenyl)acetyl]amino]-2-methylpropanoate
SMILESCCOCCN(C[C@H](C)C(=O)OC)C(=O)Cc1ccccc1F
InChIInChI=1S/C17H24FNO4/c1-4-23-10-9-19(12-13(2)17(21)22-3)16(20)11-14-7-5-6-8-15(14)18/h5-8,13H,4,9-12H2,1-3H3/t13-/m0/s1
InChIKeyRRDYYMCBPJKQSW-ZDUSSCGKSA-N
MW325.38 g/mol
LogP2.04
Rot. Bonds9

About methyl (2S)-3-[2-ethoxyethyl-[2-(2-fluorophenyl)acetyl]amino]-2-methylpropanoate

methyl (2S)-3-[2-ethoxyethyl-[2-(2-fluorophenyl)acetyl]amino]-2-methylpropanoate (PubChem CID 95299216) has the molecular formula C17H24FNO4 and a molecular weight of 325.38 g/mol. Its IUPAC name is methyl (2S)-3-[2-ethoxyethyl-[2-(2-fluorophenyl)acetyl]amino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl (2S)-3-[2-ethoxyethyl-[2-(2-fluorophenyl)acetyl]amino]-2-methylpropanoate
PubChem CID95299216
Molecular FormulaC17H24FNO4
Molecular Weight325.38 g/mol
Exact Mass325.17
IUPAC Namemethyl (2S)-3-[2-ethoxyethyl-[2-(2-fluorophenyl)acetyl]amino]-2-methylpropanoate
SMILESCCOCCN(C[C@H](C)C(=O)OC)C(=O)Cc1ccccc1F
InChIInChI=1S/C17H24FNO4/c1-4-23-10-9-19(12-13(2)17(21)22-3)16(20)11-14-7-5-6-8-15(14)18/h5-8,13H,4,9-12H2,1-3H3/t13-/m0/s1
InChIKeyRRDYYMCBPJKQSW-ZDUSSCGKSA-N
XLogP2.04
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-3-[2-ethoxyethyl-[2-(2-fluorophenyl)acetyl]amino]-2-methylpropanoate?
The IUPAC name of methyl (2S)-3-[2-ethoxyethyl-[2-(2-fluorophenyl)acetyl]amino]-2-methylpropanoate (CID 95299216) is methyl (2S)-3-[2-ethoxyethyl-[2-(2-fluorophenyl)acetyl]amino]-2-methylpropanoate.
What is the SMILES notation for methyl (2S)-3-[2-ethoxyethyl-[2-(2-fluorophenyl)acetyl]amino]-2-methylpropanoate?
The canonical SMILES for methyl (2S)-3-[2-ethoxyethyl-[2-(2-fluorophenyl)acetyl]amino]-2-methylpropanoate is CCOCCN(C[C@H](C)C(=O)OC)C(=O)Cc1ccccc1F.
What is the InChIKey of methyl (2S)-3-[2-ethoxyethyl-[2-(2-fluorophenyl)acetyl]amino]-2-methylpropanoate?
The InChIKey is RRDYYMCBPJKQSW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H24FNO4/c1-4-23-10-9-19(12-13(2)17(21)22-3)16(20)11-14-7-5-6-8-15(14)18/h5-8,13H,4,9-12H2,1-3H3/t13-/m0/s1.
What are the key properties of methyl (2S)-3-[2-ethoxyethyl-[2-(2-fluorophenyl)acetyl]amino]-2-methylpropanoate?
methyl (2S)-3-[2-ethoxyethyl-[2-(2-fluorophenyl)acetyl]amino]-2-methylpropanoate has a molecular weight of 325.38 g/mol, XLogP of 2.04, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-3-[2-ethoxyethyl-[2-(2-fluorophenyl)acetyl]amino]-2-methylpropanoate is sourced from PubChem (CID 95299216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).