(2S)-2-[(3-fluoro-2-pyridinyl)oxymethyl]-2-methylpyrrolidine-1-carboxylic acid

C12H15FN2O3 — CID 175419170

IUPAC(2S)-2-[(3-fluoro-2-pyridinyl)oxymethyl]-2-methylpyrrolidine-1-carboxylic acid
SMILESC[C@@]1(COc2ncccc2F)CCCN1C(=O)O
InChIInChI=1S/C12H15FN2O3/c1-12(5-3-7-15(12)11(16)17)8-18-10-9(13)4-2-6-14-10/h2,4,6H,3,5,7-8H2,1H3,(H,16,17)/t12-/m0/s1
InChIKeyUHMNMQYYYWOPFK-LBPRGKRZSA-N
MW254.26 g/mol
LogP2.13
Rot. Bonds3

About (2S)-2-[(3-fluoro-2-pyridinyl)oxymethyl]-2-methylpyrrolidine-1-carboxylic acid

(2S)-2-[(3-fluoro-2-pyridinyl)oxymethyl]-2-methylpyrrolidine-1-carboxylic acid (PubChem CID 175419170) has the molecular formula C12H15FN2O3 and a molecular weight of 254.26 g/mol. Its IUPAC name is (2S)-2-[(3-fluoro-2-pyridinyl)oxymethyl]-2-methylpyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(2S)-2-[(3-fluoro-2-pyridinyl)oxymethyl]-2-methylpyrrolidine-1-carboxylic acid
PubChem CID175419170
Molecular FormulaC12H15FN2O3
Molecular Weight254.26 g/mol
Exact Mass254.11
IUPAC Name(2S)-2-[(3-fluoro-2-pyridinyl)oxymethyl]-2-methylpyrrolidine-1-carboxylic acid
SMILESC[C@@]1(COc2ncccc2F)CCCN1C(=O)O
InChIInChI=1S/C12H15FN2O3/c1-12(5-3-7-15(12)11(16)17)8-18-10-9(13)4-2-6-14-10/h2,4,6H,3,5,7-8H2,1H3,(H,16,17)/t12-/m0/s1
InChIKeyUHMNMQYYYWOPFK-LBPRGKRZSA-N
XLogP2.13
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-fluoro-2-pyridinyl)oxymethyl]cyclopropane-1-carbaldehyde
CID 121207873
2-[(3-fluoro-2-pyridinyl)oxy]acetic acid
CID 66975791
2-[[(2-chloro-3-pyridinyl)sulfonylamino]methyl]-2-methylpyrrolidine-1-carboxylic acid
CID 146372173
4a-[(3-fluoro-2-pyridinyl)oxymethyl]-6-methylsulfonyl-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine;2,2,2-trifluoroacetic acid
CID 155852927
4a-[(3-fluoro-2-pyridinyl)oxymethyl]-6-pyrimidin-2-yl-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine;bis(2,2,2-trifluoroacetic acid)
CID 155827985
[(3aS,7aR)-3a-[(3-fluoro-2-pyridinyl)oxymethyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-phenylmethanone;2,2,2-trifluoroacetic acid
CID 155843190
(3-fluoro-2-pyridinyl) acetate
CID 15091012
[(3aS,7aR)-3a-[(3-fluoro-2-pyridinyl)oxymethyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-(1,3-oxazol-4-yl)methanone;2,2,2-trifluoroacetic acid
CID 127022753
(3aS,7aR)-3a-[(3-fluoro-2-pyridinyl)oxymethyl]-5-(pyridin-2-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine;tris(2,2,2-trifluoroacetic acid)
CID 155849757
1-[(3-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptane
CID 156848733
2-(1-methylcyclopentyl)oxypyridine-3-carboxylic acid
CID 117045771
1-[(2-methoxy-3-pyridinyl)methyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978885

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3-fluoro-2-pyridinyl)oxymethyl]-2-methylpyrrolidine-1-carboxylic acid?
The IUPAC name of (2S)-2-[(3-fluoro-2-pyridinyl)oxymethyl]-2-methylpyrrolidine-1-carboxylic acid (CID 175419170) is (2S)-2-[(3-fluoro-2-pyridinyl)oxymethyl]-2-methylpyrrolidine-1-carboxylic acid.
What is the SMILES notation for (2S)-2-[(3-fluoro-2-pyridinyl)oxymethyl]-2-methylpyrrolidine-1-carboxylic acid?
The canonical SMILES for (2S)-2-[(3-fluoro-2-pyridinyl)oxymethyl]-2-methylpyrrolidine-1-carboxylic acid is C[C@@]1(COc2ncccc2F)CCCN1C(=O)O.
What is the InChIKey of (2S)-2-[(3-fluoro-2-pyridinyl)oxymethyl]-2-methylpyrrolidine-1-carboxylic acid?
The InChIKey is UHMNMQYYYWOPFK-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H15FN2O3/c1-12(5-3-7-15(12)11(16)17)8-18-10-9(13)4-2-6-14-10/h2,4,6H,3,5,7-8H2,1H3,(H,16,17)/t12-/m0/s1.
What are the key properties of (2S)-2-[(3-fluoro-2-pyridinyl)oxymethyl]-2-methylpyrrolidine-1-carboxylic acid?
(2S)-2-[(3-fluoro-2-pyridinyl)oxymethyl]-2-methylpyrrolidine-1-carboxylic acid has a molecular weight of 254.26 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3-fluoro-2-pyridinyl)oxymethyl]-2-methylpyrrolidine-1-carboxylic acid is sourced from PubChem (CID 175419170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).