(2S,4S)-4-[(5-chloro-2-pyridinyl)oxy]pyrrolidine-2-carboxylic acid

C10H11ClN2O3 — CID 54581821

IUPAC(2S,4S)-4-[(5-chloro-2-pyridinyl)oxy]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@H](Oc2ccc(Cl)cn2)CN1
InChIInChI=1S/C10H11ClN2O3/c11-6-1-2-9(13-4-6)16-7-3-8(10(14)15)12-5-7/h1-2,4,7-8,12H,3,5H2,(H,14,15)/t7-,8-/m0/s1
InChIKeyLQKVUTXYGWEYCW-YUMQZZPRSA-N
MW242.66 g/mol
LogP0.93
Rot. Bonds3

About (2S,4S)-4-[(5-chloro-2-pyridinyl)oxy]pyrrolidine-2-carboxylic acid

(2S,4S)-4-[(5-chloro-2-pyridinyl)oxy]pyrrolidine-2-carboxylic acid (PubChem CID 54581821) has the molecular formula C10H11ClN2O3 and a molecular weight of 242.66 g/mol. Its IUPAC name is (2S,4S)-4-[(5-chloro-2-pyridinyl)oxy]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4S)-4-[(5-chloro-2-pyridinyl)oxy]pyrrolidine-2-carboxylic acid
PubChem CID54581821
Molecular FormulaC10H11ClN2O3
Molecular Weight242.66 g/mol
Exact Mass242.05
IUPAC Name(2S,4S)-4-[(5-chloro-2-pyridinyl)oxy]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@H](Oc2ccc(Cl)cn2)CN1
InChIInChI=1S/C10H11ClN2O3/c11-6-1-2-9(13-4-6)16-7-3-8(10(14)15)12-5-7/h1-2,4,7-8,12H,3,5H2,(H,14,15)/t7-,8-/m0/s1
InChIKeyLQKVUTXYGWEYCW-YUMQZZPRSA-N
XLogP0.93
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.66
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-[(5-chloro-2-pyridinyl)oxy]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4S)-4-[(5-chloro-2-pyridinyl)oxy]pyrrolidine-2-carboxylic acid (CID 54581821) is (2S,4S)-4-[(5-chloro-2-pyridinyl)oxy]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4S)-4-[(5-chloro-2-pyridinyl)oxy]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4S)-4-[(5-chloro-2-pyridinyl)oxy]pyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1C[C@H](Oc2ccc(Cl)cn2)CN1.
What is the InChIKey of (2S,4S)-4-[(5-chloro-2-pyridinyl)oxy]pyrrolidine-2-carboxylic acid?
The InChIKey is LQKVUTXYGWEYCW-YUMQZZPRSA-N. The full InChI is InChI=1S/C10H11ClN2O3/c11-6-1-2-9(13-4-6)16-7-3-8(10(14)15)12-5-7/h1-2,4,7-8,12H,3,5H2,(H,14,15)/t7-,8-/m0/s1.
What are the key properties of (2S,4S)-4-[(5-chloro-2-pyridinyl)oxy]pyrrolidine-2-carboxylic acid?
(2S,4S)-4-[(5-chloro-2-pyridinyl)oxy]pyrrolidine-2-carboxylic acid has a molecular weight of 242.66 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-[(5-chloro-2-pyridinyl)oxy]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 54581821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).