4-[(R)-(5-fluoro-3-pyridinyl)-hydroxymethyl]-2,2-dimethylazetidine-1-carboxylic acid

C12H15FN2O3 — CID 175189554

IUPAC4-[(R)-(5-fluoro-3-pyridinyl)-hydroxymethyl]-2,2-dimethylazetidine-1-carboxylic acid
SMILESCC1(C)CC([C@H](O)c2cncc(F)c2)N1C(=O)O
InChIInChI=1S/C12H15FN2O3/c1-12(2)4-9(15(12)11(17)18)10(16)7-3-8(13)6-14-5-7/h3,5-6,9-10,16H,4H2,1-2H3,(H,17,18)/t9?,10-/m1/s1
InChIKeyUHAYDYZOXFTVLO-QVDQXJPCSA-N
MW254.26 g/mol
LogP1.78
Rot. Bonds2

About 4-[(R)-(5-fluoro-3-pyridinyl)-hydroxymethyl]-2,2-dimethylazetidine-1-carboxylic acid

4-[(R)-(5-fluoro-3-pyridinyl)-hydroxymethyl]-2,2-dimethylazetidine-1-carboxylic acid (PubChem CID 175189554) has the molecular formula C12H15FN2O3 and a molecular weight of 254.26 g/mol. Its IUPAC name is 4-[(R)-(5-fluoro-3-pyridinyl)-hydroxymethyl]-2,2-dimethylazetidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[(R)-(5-fluoro-3-pyridinyl)-hydroxymethyl]-2,2-dimethylazetidine-1-carboxylic acid
PubChem CID175189554
Molecular FormulaC12H15FN2O3
Molecular Weight254.26 g/mol
Exact Mass254.11
IUPAC Name4-[(R)-(5-fluoro-3-pyridinyl)-hydroxymethyl]-2,2-dimethylazetidine-1-carboxylic acid
SMILESCC1(C)CC([C@H](O)c2cncc(F)c2)N1C(=O)O
InChIInChI=1S/C12H15FN2O3/c1-12(2)4-9(15(12)11(17)18)10(16)7-3-8(13)6-14-5-7/h3,5-6,9-10,16H,4H2,1-2H3,(H,17,18)/t9?,10-/m1/s1
InChIKeyUHAYDYZOXFTVLO-QVDQXJPCSA-N
XLogP1.78
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(R)-(5-fluoro-3-pyridinyl)-hydroxymethyl]-2,2-dimethylazetidine-1-carboxylic acid?
The IUPAC name of 4-[(R)-(5-fluoro-3-pyridinyl)-hydroxymethyl]-2,2-dimethylazetidine-1-carboxylic acid (CID 175189554) is 4-[(R)-(5-fluoro-3-pyridinyl)-hydroxymethyl]-2,2-dimethylazetidine-1-carboxylic acid.
What is the SMILES notation for 4-[(R)-(5-fluoro-3-pyridinyl)-hydroxymethyl]-2,2-dimethylazetidine-1-carboxylic acid?
The canonical SMILES for 4-[(R)-(5-fluoro-3-pyridinyl)-hydroxymethyl]-2,2-dimethylazetidine-1-carboxylic acid is CC1(C)CC([C@H](O)c2cncc(F)c2)N1C(=O)O.
What is the InChIKey of 4-[(R)-(5-fluoro-3-pyridinyl)-hydroxymethyl]-2,2-dimethylazetidine-1-carboxylic acid?
The InChIKey is UHAYDYZOXFTVLO-QVDQXJPCSA-N. The full InChI is InChI=1S/C12H15FN2O3/c1-12(2)4-9(15(12)11(17)18)10(16)7-3-8(13)6-14-5-7/h3,5-6,9-10,16H,4H2,1-2H3,(H,17,18)/t9?,10-/m1/s1.
What are the key properties of 4-[(R)-(5-fluoro-3-pyridinyl)-hydroxymethyl]-2,2-dimethylazetidine-1-carboxylic acid?
4-[(R)-(5-fluoro-3-pyridinyl)-hydroxymethyl]-2,2-dimethylazetidine-1-carboxylic acid has a molecular weight of 254.26 g/mol, XLogP of 1.78, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(R)-(5-fluoro-3-pyridinyl)-hydroxymethyl]-2,2-dimethylazetidine-1-carboxylic acid is sourced from PubChem (CID 175189554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).