3-amino-1-(7-bromo-1,5-naphthyridin-4-yl)pyrrolidine-3-carboxylic acid

C13H13BrN4O2 — CID 107325271

IUPAC3-amino-1-(7-bromo-1,5-naphthyridin-4-yl)pyrrolidine-3-carboxylic acid
SMILESNC1(C(=O)O)CCN(c2ccnc3cc(Br)cnc23)C1
InChIInChI=1S/C13H13BrN4O2/c14-8-5-9-11(17-6-8)10(1-3-16-9)18-4-2-13(15,7-18)12(19)20/h1,3,5-6H,2,4,7,15H2,(H,19,20)
InChIKeyIRGGKUVVUPFLEI-UHFFFAOYSA-N
MW337.18 g/mol
LogP1.38
Rot. Bonds2

About 3-amino-1-(7-bromo-1,5-naphthyridin-4-yl)pyrrolidine-3-carboxylic acid

3-amino-1-(7-bromo-1,5-naphthyridin-4-yl)pyrrolidine-3-carboxylic acid (PubChem CID 107325271) has the molecular formula C13H13BrN4O2 and a molecular weight of 337.18 g/mol. Its IUPAC name is 3-amino-1-(7-bromo-1,5-naphthyridin-4-yl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-amino-1-(7-bromo-1,5-naphthyridin-4-yl)pyrrolidine-3-carboxylic acid
PubChem CID107325271
Molecular FormulaC13H13BrN4O2
Molecular Weight337.18 g/mol
Exact Mass336.02
IUPAC Name3-amino-1-(7-bromo-1,5-naphthyridin-4-yl)pyrrolidine-3-carboxylic acid
SMILESNC1(C(=O)O)CCN(c2ccnc3cc(Br)cnc23)C1
InChIInChI=1S/C13H13BrN4O2/c14-8-5-9-11(17-6-8)10(1-3-16-9)18-4-2-13(15,7-18)12(19)20/h1,3,5-6H,2,4,7,15H2,(H,19,20)
InChIKeyIRGGKUVVUPFLEI-UHFFFAOYSA-N
XLogP1.38
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.18
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(7-bromo-1,5-naphthyridin-4-yl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-amino-1-(7-bromo-1,5-naphthyridin-4-yl)pyrrolidine-3-carboxylic acid (CID 107325271) is 3-amino-1-(7-bromo-1,5-naphthyridin-4-yl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-amino-1-(7-bromo-1,5-naphthyridin-4-yl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-amino-1-(7-bromo-1,5-naphthyridin-4-yl)pyrrolidine-3-carboxylic acid is NC1(C(=O)O)CCN(c2ccnc3cc(Br)cnc23)C1.
What is the InChIKey of 3-amino-1-(7-bromo-1,5-naphthyridin-4-yl)pyrrolidine-3-carboxylic acid?
The InChIKey is IRGGKUVVUPFLEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN4O2/c14-8-5-9-11(17-6-8)10(1-3-16-9)18-4-2-13(15,7-18)12(19)20/h1,3,5-6H,2,4,7,15H2,(H,19,20).
What are the key properties of 3-amino-1-(7-bromo-1,5-naphthyridin-4-yl)pyrrolidine-3-carboxylic acid?
3-amino-1-(7-bromo-1,5-naphthyridin-4-yl)pyrrolidine-3-carboxylic acid has a molecular weight of 337.18 g/mol, XLogP of 1.38, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(7-bromo-1,5-naphthyridin-4-yl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 107325271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).