[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] (2S)-oxolane-2-carboxylate

C14H16FNO4 — CID 8808247

IUPAC[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] (2S)-oxolane-2-carboxylate
SMILESO=C(COC(=O)[C@@H]1CCCO1)NCc1ccccc1F
InChIInChI=1S/C14H16FNO4/c15-11-5-2-1-4-10(11)8-16-13(17)9-20-14(18)12-6-3-7-19-12/h1-2,4-5,12H,3,6-9H2,(H,16,17)/t12-/m0/s1
InChIKeyDVWHBMFZNSCBLK-LBPRGKRZSA-N
MW281.28 g/mol
LogP1.16
Rot. Bonds5

About [2-[(2-fluorophenyl)methylamino]-2-oxoethyl] (2S)-oxolane-2-carboxylate

[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] (2S)-oxolane-2-carboxylate (PubChem CID 8808247) has the molecular formula C14H16FNO4 and a molecular weight of 281.28 g/mol. Its IUPAC name is [2-[(2-fluorophenyl)methylamino]-2-oxoethyl] (2S)-oxolane-2-carboxylate.

Molecular Properties

Compound Name[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] (2S)-oxolane-2-carboxylate
PubChem CID8808247
Molecular FormulaC14H16FNO4
Molecular Weight281.28 g/mol
Exact Mass281.11
IUPAC Name[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] (2S)-oxolane-2-carboxylate
SMILESO=C(COC(=O)[C@@H]1CCCO1)NCc1ccccc1F
InChIInChI=1S/C14H16FNO4/c15-11-5-2-1-4-10(11)8-16-13(17)9-20-14(18)12-6-3-7-19-12/h1-2,4-5,12H,3,6-9H2,(H,16,17)/t12-/m0/s1
InChIKeyDVWHBMFZNSCBLK-LBPRGKRZSA-N
XLogP1.16
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 ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-phenylpropyl)oxolane-2-carboxamide
CID 6467126
[2-(Benzylamino)-2-oxoethyl] cyclobutanecarboxylate
CID 7717405
N-[2-(4-fluorophenyl)ethyl]oxolane-2-carboxamide
CID 2947967
[2-(Benzylamino)-2-oxoethyl] 2-methylcyclopropane-1-carboxylate
CID 3883134
(2-Oxooxolan-3-yl) 2-[(2-fluorobenzoyl)amino]acetate
CID 5034282
[2-[(4-Fluorophenyl)methylamino]-2-oxoethyl] cyclobutanecarboxylate
CID 7717209
N-(1-phenylethyl)tetrahydro-2-furancarboxamide
CID 2931490
N-[(3,5-difluorophenyl)methyl]oxolane-2-carboxamide
CID 42955798
N-[(4-fluorophenyl)methyl]-2-(2-methylpropoxy)propanamide
CID 45818539
methyl (2R,3S)-3-acetamido-2-acetyloxy-3-(4-fluorophenyl)propanoate
CID 101897815
N-benzyloxolane-2-carboxamide
CID 4050886
N-ethyl-N-[(3-fluorophenyl)methyl]oxolane-2-carboxamide
CID 51073090

Frequently Asked Questions

What is the IUPAC name of [2-[(2-fluorophenyl)methylamino]-2-oxoethyl] (2S)-oxolane-2-carboxylate?
The IUPAC name of [2-[(2-fluorophenyl)methylamino]-2-oxoethyl] (2S)-oxolane-2-carboxylate (CID 8808247) is [2-[(2-fluorophenyl)methylamino]-2-oxoethyl] (2S)-oxolane-2-carboxylate.
What is the SMILES notation for [2-[(2-fluorophenyl)methylamino]-2-oxoethyl] (2S)-oxolane-2-carboxylate?
The canonical SMILES for [2-[(2-fluorophenyl)methylamino]-2-oxoethyl] (2S)-oxolane-2-carboxylate is O=C(COC(=O)[C@@H]1CCCO1)NCc1ccccc1F.
What is the InChIKey of [2-[(2-fluorophenyl)methylamino]-2-oxoethyl] (2S)-oxolane-2-carboxylate?
The InChIKey is DVWHBMFZNSCBLK-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H16FNO4/c15-11-5-2-1-4-10(11)8-16-13(17)9-20-14(18)12-6-3-7-19-12/h1-2,4-5,12H,3,6-9H2,(H,16,17)/t12-/m0/s1.
What are the key properties of [2-[(2-fluorophenyl)methylamino]-2-oxoethyl] (2S)-oxolane-2-carboxylate?
[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] (2S)-oxolane-2-carboxylate has a molecular weight of 281.28 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-fluorophenyl)methylamino]-2-oxoethyl] (2S)-oxolane-2-carboxylate is sourced from PubChem (CID 8808247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).