[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 2-(3-fluoro-4-methoxyphenyl)acetate

C16H20FNO5 — CID 8667030

IUPAC[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 2-(3-fluoro-4-methoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)OCC(=O)NC[C@@H]2CCCO2)cc1F
InChIInChI=1S/C16H20FNO5/c1-21-14-5-4-11(7-13(14)17)8-16(20)23-10-15(19)18-9-12-3-2-6-22-12/h4-5,7,12H,2-3,6,8-10H2,1H3,(H,18,19)/t12-/m0/s1
InChIKeyAYCGYNWXVNVAQY-LBPRGKRZSA-N
MW325.34 g/mol
LogP1.22
Rot. Bonds7

About [2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 2-(3-fluoro-4-methoxyphenyl)acetate

[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 2-(3-fluoro-4-methoxyphenyl)acetate (PubChem CID 8667030) has the molecular formula C16H20FNO5 and a molecular weight of 325.34 g/mol. Its IUPAC name is [2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 2-(3-fluoro-4-methoxyphenyl)acetate.

Molecular Properties

Compound Name[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 2-(3-fluoro-4-methoxyphenyl)acetate
PubChem CID8667030
Molecular FormulaC16H20FNO5
Molecular Weight325.34 g/mol
Exact Mass325.13
IUPAC Name[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 2-(3-fluoro-4-methoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)OCC(=O)NC[C@@H]2CCCO2)cc1F
InChIInChI=1S/C16H20FNO5/c1-21-14-5-4-11(7-13(14)17)8-16(20)23-10-15(19)18-9-12-3-2-6-22-12/h4-5,7,12H,2-3,6,8-10H2,1H3,(H,18,19)/t12-/m0/s1
InChIKeyAYCGYNWXVNVAQY-LBPRGKRZSA-N
XLogP1.22
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 2-(3-fluoro-4-methoxyphenyl)acetate with MolForge

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Related Compounds

[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 3,4-dimethoxybenzoate
CID 8011905
[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 3-(3,4,5-trimethoxyphenyl)propanoate
CID 8019364
3-(3,4-dimethoxyphenyl)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 30392326
[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2,6-dimethoxybenzoate
CID 23910544
N-[(3-fluoro-4-methoxyphenyl)methyl]-1-(oxolan-2-yl)methanamine
CID 43090303
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-(3-fluoro-4-methoxyphenyl)acetate
CID 46609621
[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 2-fluoro-4-methoxybenzoate
CID 8509177
[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 2-(4-methoxyphenoxy)acetate
CID 8905770
N-(oxolan-2-ylmethyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 18168436
[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate
CID 7966220
[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 4-ethylbenzoate
CID 2607157
[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate
CID 8525301

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 2-(3-fluoro-4-methoxyphenyl)acetate?
The IUPAC name of [2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 2-(3-fluoro-4-methoxyphenyl)acetate (CID 8667030) is [2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 2-(3-fluoro-4-methoxyphenyl)acetate.
What is the SMILES notation for [2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 2-(3-fluoro-4-methoxyphenyl)acetate?
The canonical SMILES for [2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 2-(3-fluoro-4-methoxyphenyl)acetate is COc1ccc(CC(=O)OCC(=O)NC[C@@H]2CCCO2)cc1F.
What is the InChIKey of [2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 2-(3-fluoro-4-methoxyphenyl)acetate?
The InChIKey is AYCGYNWXVNVAQY-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H20FNO5/c1-21-14-5-4-11(7-13(14)17)8-16(20)23-10-15(19)18-9-12-3-2-6-22-12/h4-5,7,12H,2-3,6,8-10H2,1H3,(H,18,19)/t12-/m0/s1.
What are the key properties of [2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 2-(3-fluoro-4-methoxyphenyl)acetate?
[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 2-(3-fluoro-4-methoxyphenyl)acetate has a molecular weight of 325.34 g/mol, XLogP of 1.22, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 2-(3-fluoro-4-methoxyphenyl)acetate is sourced from PubChem (CID 8667030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).