(2R)-1-(1,5-naphthyridin-4-yl)pyrrolidine-2-carboxylic acid

C13H13N3O2 — CID 122051669

IUPAC(2R)-1-(1,5-naphthyridin-4-yl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1c1ccnc2cccnc12
InChIInChI=1S/C13H13N3O2/c17-13(18)11-4-2-8-16(11)10-5-7-14-9-3-1-6-15-12(9)10/h1,3,5-7,11H,2,4,8H2,(H,17,18)/t11-/m1/s1
InChIKeyGEJMMRBUUWIFQK-LLVKDONJSA-N
MW243.27 g/mol
LogP1.68
Rot. Bonds2

About (2R)-1-(1,5-naphthyridin-4-yl)pyrrolidine-2-carboxylic acid

(2R)-1-(1,5-naphthyridin-4-yl)pyrrolidine-2-carboxylic acid (PubChem CID 122051669) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is (2R)-1-(1,5-naphthyridin-4-yl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-(1,5-naphthyridin-4-yl)pyrrolidine-2-carboxylic acid
PubChem CID122051669
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name(2R)-1-(1,5-naphthyridin-4-yl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1c1ccnc2cccnc12
InChIInChI=1S/C13H13N3O2/c17-13(18)11-4-2-8-16(11)10-5-7-14-9-3-1-6-15-12(9)10/h1,3,5-7,11H,2,4,8H2,(H,17,18)/t11-/m1/s1
InChIKeyGEJMMRBUUWIFQK-LLVKDONJSA-N
XLogP1.68
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-(8-chloroquinolin-4-yl)pyrrolidine-2-carboxylic acid
CID 122059656
1-(8-bromo-5-fluoroquinolin-4-yl)pyrrolidine-2-carboxylic acid
CID 122058757
(2S)-1-(7-bromoquinolin-4-yl)pyrrolidine-2-carboxylic acid
CID 122059764
1-(7-bromoquinolin-4-yl)pyrrolidine-2-carboxylic acid
CID 122058852
(2S)-1-(8-methoxyquinolin-4-yl)pyrrolidine-2-carboxylic acid
CID 122059647
1-(8-nitroquinolin-5-yl)pyrrolidine-2-carboxylic acid
CID 43449364
1-(8-fluoroquinolin-4-yl)piperidine-2-carboxylic acid
CID 71563719
1-(3-bromo-2-methyl-4-pyridinyl)pyrrolidine-2-carboxylic acid
CID 154779506
(2S)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxylic acid
CID 28873916
1-(6-fluoroquinolin-4-yl)piperidine-2-carboxylic acid
CID 71563717
1-(3-hydroxy-2-pyridinyl)piperidine-2-carboxylic acid
CID 71649558
1-quinazolin-5-ylpyrrolidine-2-carboxylic acid
CID 82386399

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(1,5-naphthyridin-4-yl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-(1,5-naphthyridin-4-yl)pyrrolidine-2-carboxylic acid (CID 122051669) is (2R)-1-(1,5-naphthyridin-4-yl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-(1,5-naphthyridin-4-yl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-(1,5-naphthyridin-4-yl)pyrrolidine-2-carboxylic acid is O=C(O)[C@H]1CCCN1c1ccnc2cccnc12.
What is the InChIKey of (2R)-1-(1,5-naphthyridin-4-yl)pyrrolidine-2-carboxylic acid?
The InChIKey is GEJMMRBUUWIFQK-LLVKDONJSA-N. The full InChI is InChI=1S/C13H13N3O2/c17-13(18)11-4-2-8-16(11)10-5-7-14-9-3-1-6-15-12(9)10/h1,3,5-7,11H,2,4,8H2,(H,17,18)/t11-/m1/s1.
What are the key properties of (2R)-1-(1,5-naphthyridin-4-yl)pyrrolidine-2-carboxylic acid?
(2R)-1-(1,5-naphthyridin-4-yl)pyrrolidine-2-carboxylic acid has a molecular weight of 243.27 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(1,5-naphthyridin-4-yl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 122051669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).