(2S)-1-pyridin-4-ylpyrrolidine-2-carboxylic acid

C10H12N2O2 — CID 12041786

IUPAC(2S)-1-pyridin-4-ylpyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1c1ccncc1
InChIInChI=1S/C10H12N2O2/c13-10(14)9-2-1-7-12(9)8-3-5-11-6-4-8/h3-6,9H,1-2,7H2,(H,13,14)/t9-/m0/s1
InChIKeyPIMPNQHPGDHYFL-VIFPVBQESA-N
MW192.22 g/mol
LogP1.13
Rot. Bonds2

About (2S)-1-pyridin-4-ylpyrrolidine-2-carboxylic acid

(2S)-1-pyridin-4-ylpyrrolidine-2-carboxylic acid (PubChem CID 12041786) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is (2S)-1-pyridin-4-ylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-pyridin-4-ylpyrrolidine-2-carboxylic acid
PubChem CID12041786
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name(2S)-1-pyridin-4-ylpyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1c1ccncc1
InChIInChI=1S/C10H12N2O2/c13-10(14)9-2-1-7-12(9)8-3-5-11-6-4-8/h3-6,9H,1-2,7H2,(H,13,14)/t9-/m0/s1
InChIKeyPIMPNQHPGDHYFL-VIFPVBQESA-N
XLogP1.13
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-pyridin-4-ylpyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-pyridin-4-ylpyrrolidine-2-carboxylic acid (CID 12041786) is (2S)-1-pyridin-4-ylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-pyridin-4-ylpyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-pyridin-4-ylpyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1CCCN1c1ccncc1.
What is the InChIKey of (2S)-1-pyridin-4-ylpyrrolidine-2-carboxylic acid?
The InChIKey is PIMPNQHPGDHYFL-VIFPVBQESA-N. The full InChI is InChI=1S/C10H12N2O2/c13-10(14)9-2-1-7-12(9)8-3-5-11-6-4-8/h3-6,9H,1-2,7H2,(H,13,14)/t9-/m0/s1.
What are the key properties of (2S)-1-pyridin-4-ylpyrrolidine-2-carboxylic acid?
(2S)-1-pyridin-4-ylpyrrolidine-2-carboxylic acid has a molecular weight of 192.22 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-pyridin-4-ylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 12041786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).