methyl 3-[(4-fluorobenzoyl)amino]-3-(oxetan-3-yl)propanoate

C14H16FNO4 — CID 175544254

IUPACmethyl 3-[(4-fluorobenzoyl)amino]-3-(oxetan-3-yl)propanoate
SMILESCOC(=O)CC(NC(=O)c1ccc(F)cc1)C1COC1
InChIInChI=1S/C14H16FNO4/c1-19-13(17)6-12(10-7-20-8-10)16-14(18)9-2-4-11(15)5-3-9/h2-5,10,12H,6-8H2,1H3,(H,16,18)
InChIKeyQALWMGBQXOMLNA-UHFFFAOYSA-N
MW281.28 g/mol
LogP1.13
Rot. Bonds5

About methyl 3-[(4-fluorobenzoyl)amino]-3-(oxetan-3-yl)propanoate

methyl 3-[(4-fluorobenzoyl)amino]-3-(oxetan-3-yl)propanoate (PubChem CID 175544254) has the molecular formula C14H16FNO4 and a molecular weight of 281.28 g/mol. Its IUPAC name is methyl 3-[(4-fluorobenzoyl)amino]-3-(oxetan-3-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-[(4-fluorobenzoyl)amino]-3-(oxetan-3-yl)propanoate
PubChem CID175544254
Molecular FormulaC14H16FNO4
Molecular Weight281.28 g/mol
Exact Mass281.11
IUPAC Namemethyl 3-[(4-fluorobenzoyl)amino]-3-(oxetan-3-yl)propanoate
SMILESCOC(=O)CC(NC(=O)c1ccc(F)cc1)C1COC1
InChIInChI=1S/C14H16FNO4/c1-19-13(17)6-12(10-7-20-8-10)16-14(18)9-2-4-11(15)5-3-9/h2-5,10,12H,6-8H2,1H3,(H,16,18)
InChIKeyQALWMGBQXOMLNA-UHFFFAOYSA-N
XLogP1.13
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4-fluorobenzoyl)amino]-3-(oxetan-3-yl)propanoate?
The IUPAC name of methyl 3-[(4-fluorobenzoyl)amino]-3-(oxetan-3-yl)propanoate (CID 175544254) is methyl 3-[(4-fluorobenzoyl)amino]-3-(oxetan-3-yl)propanoate.
What is the SMILES notation for methyl 3-[(4-fluorobenzoyl)amino]-3-(oxetan-3-yl)propanoate?
The canonical SMILES for methyl 3-[(4-fluorobenzoyl)amino]-3-(oxetan-3-yl)propanoate is COC(=O)CC(NC(=O)c1ccc(F)cc1)C1COC1.
What is the InChIKey of methyl 3-[(4-fluorobenzoyl)amino]-3-(oxetan-3-yl)propanoate?
The InChIKey is QALWMGBQXOMLNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO4/c1-19-13(17)6-12(10-7-20-8-10)16-14(18)9-2-4-11(15)5-3-9/h2-5,10,12H,6-8H2,1H3,(H,16,18).
What are the key properties of methyl 3-[(4-fluorobenzoyl)amino]-3-(oxetan-3-yl)propanoate?
methyl 3-[(4-fluorobenzoyl)amino]-3-(oxetan-3-yl)propanoate has a molecular weight of 281.28 g/mol, XLogP of 1.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4-fluorobenzoyl)amino]-3-(oxetan-3-yl)propanoate is sourced from PubChem (CID 175544254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).