(2S)-1-[5-(difluoromethoxy)-2-pyridinyl]pyrrolidine-2-carboxylic acid

C11H12F2N2O3 — CID 120964902

IUPAC(2S)-1-[5-(difluoromethoxy)-2-pyridinyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1c1ccc(OC(F)F)cn1
InChIInChI=1S/C11H12F2N2O3/c12-11(13)18-7-3-4-9(14-6-7)15-5-1-2-8(15)10(16)17/h3-4,6,8,11H,1-2,5H2,(H,16,17)/t8-/m0/s1
InChIKeyFVJRTUFFWYPOKL-QMMMGPOBSA-N
MW258.22 g/mol
LogP1.74
Rot. Bonds4

About (2S)-1-[5-(difluoromethoxy)-2-pyridinyl]pyrrolidine-2-carboxylic acid

(2S)-1-[5-(difluoromethoxy)-2-pyridinyl]pyrrolidine-2-carboxylic acid (PubChem CID 120964902) has the molecular formula C11H12F2N2O3 and a molecular weight of 258.22 g/mol. Its IUPAC name is (2S)-1-[5-(difluoromethoxy)-2-pyridinyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-[5-(difluoromethoxy)-2-pyridinyl]pyrrolidine-2-carboxylic acid
PubChem CID120964902
Molecular FormulaC11H12F2N2O3
Molecular Weight258.22 g/mol
Exact Mass258.08
IUPAC Name(2S)-1-[5-(difluoromethoxy)-2-pyridinyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1c1ccc(OC(F)F)cn1
InChIInChI=1S/C11H12F2N2O3/c12-11(13)18-7-3-4-9(14-6-7)15-5-1-2-8(15)10(16)17/h3-4,6,8,11H,1-2,5H2,(H,16,17)/t8-/m0/s1
InChIKeyFVJRTUFFWYPOKL-QMMMGPOBSA-N
XLogP1.74
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.22
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-(5-cyano-2-pyridinyl)pyrrolidine-2-carboxylic acid
CID 30078852
(3R,6R)-1-[5-(difluoromethoxy)-2-pyridinyl]-6-methylpiperidine-3-carboxamide
CID 99857708
(2S)-1-[5-[di(propan-2-yl)sulfamoyl]-2-pyridinyl]pyrrolidine-2-carboxylic acid
CID 122059850
(2S)-1-(5-piperidin-1-ylsulfonyl-2-pyridinyl)pyrrolidine-2-carboxylic acid
CID 122059848
1-[5-(difluoromethoxy)-2-pyridinyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122052517
1-[2-[4-(difluoromethoxy)phenyl]acetyl]pyrrolidine-2-carboxylic acid
CID 43170890
(2S)-1-(2-methylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 94586857
(2R)-1-(2-methylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 94586856
1-(6-methylpyridazin-3-yl)pyrrolidine-2-carboxylic acid
CID 82236002
(2R)-1-(5-bromo-4-methyl-2-pyridinyl)pyrrolidine-2-carboxylic acid
CID 120965092
(2S)-1-[[1-[4-(difluoromethoxy)phenyl]tetrazol-5-yl]methyl]pyrrolidine-2-carboxylic acid
CID 119910715
1-(5-methoxy-2-pyridinyl)piperazine-2-carboxylic acid
CID 106504446

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[5-(difluoromethoxy)-2-pyridinyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-[5-(difluoromethoxy)-2-pyridinyl]pyrrolidine-2-carboxylic acid (CID 120964902) is (2S)-1-[5-(difluoromethoxy)-2-pyridinyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-[5-(difluoromethoxy)-2-pyridinyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-[5-(difluoromethoxy)-2-pyridinyl]pyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1CCCN1c1ccc(OC(F)F)cn1.
What is the InChIKey of (2S)-1-[5-(difluoromethoxy)-2-pyridinyl]pyrrolidine-2-carboxylic acid?
The InChIKey is FVJRTUFFWYPOKL-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H12F2N2O3/c12-11(13)18-7-3-4-9(14-6-7)15-5-1-2-8(15)10(16)17/h3-4,6,8,11H,1-2,5H2,(H,16,17)/t8-/m0/s1.
What are the key properties of (2S)-1-[5-(difluoromethoxy)-2-pyridinyl]pyrrolidine-2-carboxylic acid?
(2S)-1-[5-(difluoromethoxy)-2-pyridinyl]pyrrolidine-2-carboxylic acid has a molecular weight of 258.22 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[5-(difluoromethoxy)-2-pyridinyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 120964902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).