2-[(2R,3R,4S,6R)-4-(dimethylamino)-2-fluoro-6-methyloxan-3-yl]acetic acid

C10H18FNO3 — CID 123240173

IUPAC2-[(2R,3R,4S,6R)-4-(dimethylamino)-2-fluoro-6-methyloxan-3-yl]acetic acid
SMILESC[C@@H]1C[C@H](N(C)C)[C@@H](CC(=O)O)[C@@H](F)O1
InChIInChI=1S/C10H18FNO3/c1-6-4-8(12(2)3)7(5-9(13)14)10(11)15-6/h6-8,10H,4-5H2,1-3H3,(H,13,14)/t6-,7-,8+,10+/m1/s1
InChIKeyWLQXZMKCIROGJZ-ODXREFDESA-N
MW219.26 g/mol
LogP1.11
Rot. Bonds3

About 2-[(2R,3R,4S,6R)-4-(dimethylamino)-2-fluoro-6-methyloxan-3-yl]acetic acid

2-[(2R,3R,4S,6R)-4-(dimethylamino)-2-fluoro-6-methyloxan-3-yl]acetic acid (PubChem CID 123240173) has the molecular formula C10H18FNO3 and a molecular weight of 219.26 g/mol. Its IUPAC name is 2-[(2R,3R,4S,6R)-4-(dimethylamino)-2-fluoro-6-methyloxan-3-yl]acetic acid.

Molecular Properties

Compound Name2-[(2R,3R,4S,6R)-4-(dimethylamino)-2-fluoro-6-methyloxan-3-yl]acetic acid
PubChem CID123240173
Molecular FormulaC10H18FNO3
Molecular Weight219.26 g/mol
Exact Mass219.13
IUPAC Name2-[(2R,3R,4S,6R)-4-(dimethylamino)-2-fluoro-6-methyloxan-3-yl]acetic acid
SMILESC[C@@H]1C[C@H](N(C)C)[C@@H](CC(=O)O)[C@@H](F)O1
InChIInChI=1S/C10H18FNO3/c1-6-4-8(12(2)3)7(5-9(13)14)10(11)15-6/h6-8,10H,4-5H2,1-3H3,(H,13,14)/t6-,7-,8+,10+/m1/s1
InChIKeyWLQXZMKCIROGJZ-ODXREFDESA-N
XLogP1.11
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R,3R,4S,6R)-4-(dimethylamino)-2-fluoro-6-methyloxan-3-yl]acetic acid?
The IUPAC name of 2-[(2R,3R,4S,6R)-4-(dimethylamino)-2-fluoro-6-methyloxan-3-yl]acetic acid (CID 123240173) is 2-[(2R,3R,4S,6R)-4-(dimethylamino)-2-fluoro-6-methyloxan-3-yl]acetic acid.
What is the SMILES notation for 2-[(2R,3R,4S,6R)-4-(dimethylamino)-2-fluoro-6-methyloxan-3-yl]acetic acid?
The canonical SMILES for 2-[(2R,3R,4S,6R)-4-(dimethylamino)-2-fluoro-6-methyloxan-3-yl]acetic acid is C[C@@H]1C[C@H](N(C)C)[C@@H](CC(=O)O)[C@@H](F)O1.
What is the InChIKey of 2-[(2R,3R,4S,6R)-4-(dimethylamino)-2-fluoro-6-methyloxan-3-yl]acetic acid?
The InChIKey is WLQXZMKCIROGJZ-ODXREFDESA-N. The full InChI is InChI=1S/C10H18FNO3/c1-6-4-8(12(2)3)7(5-9(13)14)10(11)15-6/h6-8,10H,4-5H2,1-3H3,(H,13,14)/t6-,7-,8+,10+/m1/s1.
What are the key properties of 2-[(2R,3R,4S,6R)-4-(dimethylamino)-2-fluoro-6-methyloxan-3-yl]acetic acid?
2-[(2R,3R,4S,6R)-4-(dimethylamino)-2-fluoro-6-methyloxan-3-yl]acetic acid has a molecular weight of 219.26 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,3R,4S,6R)-4-(dimethylamino)-2-fluoro-6-methyloxan-3-yl]acetic acid is sourced from PubChem (CID 123240173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).