(2R,4R,5R,6S)-6-[[(2-fluoroacetyl)amino]methyl]-4,5-dimethyloxane-2-carboxylic acid

C11H18FNO4 — CID 59036410

IUPAC(2R,4R,5R,6S)-6-[[(2-fluoroacetyl)amino]methyl]-4,5-dimethyloxane-2-carboxylic acid
SMILESC[C@@H]1[C@H](C)C[C@H](C(=O)O)O[C@@H]1CNC(=O)CF
InChIInChI=1S/C11H18FNO4/c1-6-3-8(11(15)16)17-9(7(6)2)5-13-10(14)4-12/h6-9H,3-5H2,1-2H3,(H,13,14)(H,15,16)/t6-,7-,8-,9-/m1/s1
InChIKeyUNOABCIKLFERHK-FNCVBFRFSA-N
MW247.27 g/mol
LogP0.59
Rot. Bonds4

About (2R,4R,5R,6S)-6-[[(2-fluoroacetyl)amino]methyl]-4,5-dimethyloxane-2-carboxylic acid

(2R,4R,5R,6S)-6-[[(2-fluoroacetyl)amino]methyl]-4,5-dimethyloxane-2-carboxylic acid (PubChem CID 59036410) has the molecular formula C11H18FNO4 and a molecular weight of 247.27 g/mol. Its IUPAC name is (2R,4R,5R,6S)-6-[[(2-fluoroacetyl)amino]methyl]-4,5-dimethyloxane-2-carboxylic acid.

Molecular Properties

Compound Name(2R,4R,5R,6S)-6-[[(2-fluoroacetyl)amino]methyl]-4,5-dimethyloxane-2-carboxylic acid
PubChem CID59036410
Molecular FormulaC11H18FNO4
Molecular Weight247.27 g/mol
Exact Mass247.12
IUPAC Name(2R,4R,5R,6S)-6-[[(2-fluoroacetyl)amino]methyl]-4,5-dimethyloxane-2-carboxylic acid
SMILESC[C@@H]1[C@H](C)C[C@H](C(=O)O)O[C@@H]1CNC(=O)CF
InChIInChI=1S/C11H18FNO4/c1-6-3-8(11(15)16)17-9(7(6)2)5-13-10(14)4-12/h6-9H,3-5H2,1-2H3,(H,13,14)(H,15,16)/t6-,7-,8-,9-/m1/s1
InChIKeyUNOABCIKLFERHK-FNCVBFRFSA-N
XLogP0.59
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R,4R,5R,6S)-6-[[(2-fluoroacetyl)amino]methyl]-4,5-dimethyloxane-2-carboxylic acid with MolForge

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Related Compounds

(2R,3R,4S,5R,6R)-3-acetamido-6-[2-(fluoromethoxy)-2-iminoethyl]-4,5-dimethyloxane-2-carboxylic acid
CID 59036339
(2R,3S,4R,5S,6R)-3-acetamido-6-[2-(fluoromethoxy)-2-iminoethyl]-4,5-dimethyloxane-2-carboxylic acid
CID 59036389
(2R,3S,4R,5R,6R)-3-acetamido-6-[2-(fluoromethoxy)-2-iminoethyl]-4,5-dimethyloxane-2-carboxylic acid
CID 59036399
(2R,3R,4R,5R,6R)-3-acetamido-6-[2-(fluoromethoxy)-2-iminoethyl]-4,5-dimethyloxane-2-carboxylic acid
CID 59036402
(2R,3R,4S,5S,6S)-6-[[(2-fluoroacetyl)amino]methyl]-3,4,5-trimethyloxane-2-carboxylic acid
CID 59036431
(2R,3R,4R,5S,6R)-3-acetamido-6-[2-(fluoromethoxy)-2-iminoethyl]-4,5-dimethyloxane-2-carboxylic acid
CID 59036442
(2R,3R,4S,5S,6S)-3-acetamido-6-[[(2-fluoroacetyl)amino]methyl]-4,5-dimethyloxane-2-carboxylic acid
CID 59036460
(2S,3R,4S,5S,6S)-6-[[(2-fluoroacetyl)amino]methyl]-3,4,5-trimethyloxane-2-carboxylic acid
CID 59036463
(2R,3R,4S,5S,6R)-3-acetamido-6-[2-(fluoromethoxy)-2-iminoethyl]-4,5-dimethyloxane-2-carboxylic acid
CID 59036488
(2R,3S,4S,5R,6R)-3-acetamido-6-[2-(fluoromethoxy)-2-iminoethyl]-4,5-dimethyloxane-2-carboxylic acid
CID 59036504
(2R,3S,4S,5S,6R)-3-acetamido-6-[2-(fluoromethoxy)-2-iminoethyl]-4,5-dimethyloxane-2-carboxylic acid
CID 59036507
6-[[Acetyl(ethyl)amino]methyl]-2,3-difluoro-4-hydroxy-5-methyloxane-2-carboxylic acid
CID 90785425

Frequently Asked Questions

What is the IUPAC name of (2R,4R,5R,6S)-6-[[(2-fluoroacetyl)amino]methyl]-4,5-dimethyloxane-2-carboxylic acid?
The IUPAC name of (2R,4R,5R,6S)-6-[[(2-fluoroacetyl)amino]methyl]-4,5-dimethyloxane-2-carboxylic acid (CID 59036410) is (2R,4R,5R,6S)-6-[[(2-fluoroacetyl)amino]methyl]-4,5-dimethyloxane-2-carboxylic acid.
What is the SMILES notation for (2R,4R,5R,6S)-6-[[(2-fluoroacetyl)amino]methyl]-4,5-dimethyloxane-2-carboxylic acid?
The canonical SMILES for (2R,4R,5R,6S)-6-[[(2-fluoroacetyl)amino]methyl]-4,5-dimethyloxane-2-carboxylic acid is C[C@@H]1[C@H](C)C[C@H](C(=O)O)O[C@@H]1CNC(=O)CF.
What is the InChIKey of (2R,4R,5R,6S)-6-[[(2-fluoroacetyl)amino]methyl]-4,5-dimethyloxane-2-carboxylic acid?
The InChIKey is UNOABCIKLFERHK-FNCVBFRFSA-N. The full InChI is InChI=1S/C11H18FNO4/c1-6-3-8(11(15)16)17-9(7(6)2)5-13-10(14)4-12/h6-9H,3-5H2,1-2H3,(H,13,14)(H,15,16)/t6-,7-,8-,9-/m1/s1.
What are the key properties of (2R,4R,5R,6S)-6-[[(2-fluoroacetyl)amino]methyl]-4,5-dimethyloxane-2-carboxylic acid?
(2R,4R,5R,6S)-6-[[(2-fluoroacetyl)amino]methyl]-4,5-dimethyloxane-2-carboxylic acid has a molecular weight of 247.27 g/mol, XLogP of 0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R,5R,6S)-6-[[(2-fluoroacetyl)amino]methyl]-4,5-dimethyloxane-2-carboxylic acid is sourced from PubChem (CID 59036410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).