1-(3-bromopyridine-2-carbonyl)-2-propylpyrrolidine-2-carboxylic acid

C14H17BrN2O3 — CID 107517270

IUPAC1-(3-bromopyridine-2-carbonyl)-2-propylpyrrolidine-2-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN1C(=O)c1ncccc1Br
InChIInChI=1S/C14H17BrN2O3/c1-2-6-14(13(19)20)7-4-9-17(14)12(18)11-10(15)5-3-8-16-11/h3,5,8H,2,4,6-7,9H2,1H3,(H,19,20)
InChIKeyNXVZOTCUOJVMAU-UHFFFAOYSA-N
MW341.21 g/mol
LogP2.70
Rot. Bonds4

About 1-(3-bromopyridine-2-carbonyl)-2-propylpyrrolidine-2-carboxylic acid

1-(3-bromopyridine-2-carbonyl)-2-propylpyrrolidine-2-carboxylic acid (PubChem CID 107517270) has the molecular formula C14H17BrN2O3 and a molecular weight of 341.21 g/mol. Its IUPAC name is 1-(3-bromopyridine-2-carbonyl)-2-propylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(3-bromopyridine-2-carbonyl)-2-propylpyrrolidine-2-carboxylic acid
PubChem CID107517270
Molecular FormulaC14H17BrN2O3
Molecular Weight341.21 g/mol
Exact Mass340.04
IUPAC Name1-(3-bromopyridine-2-carbonyl)-2-propylpyrrolidine-2-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN1C(=O)c1ncccc1Br
InChIInChI=1S/C14H17BrN2O3/c1-2-6-14(13(19)20)7-4-9-17(14)12(18)11-10(15)5-3-8-16-11/h3,5,8H,2,4,6-7,9H2,1H3,(H,19,20)
InChIKeyNXVZOTCUOJVMAU-UHFFFAOYSA-N
XLogP2.70
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.21
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromo-2-fluorobenzoyl)-2-propylpyrrolidine-2-carboxylic acid
CID 107949526
1-(3,5-dibromobenzoyl)-2-propylpyrrolidine-2-carboxylic acid
CID 107971738
1-(2-bromo-5-methylbenzoyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977105
1-(2-bromo-4-chlorobenzoyl)-2-propylpyrrolidine-2-carboxylic acid
CID 107987017
1-(5-methylpyrazine-2-carbonyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977113
2-propyl-1-(1,3-thiazole-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 106977186
1-(3-bromopyridine-2-carbonyl)-4-ethylpiperidine-4-carboxylic acid
CID 107517094
2-ethyl-1-(2-methylpyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 83076124
1-(4-bromo-2-chlorobenzoyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977125
1-(2,6-dimethylpyridine-3-carbonyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977067
(3-bromo-2-pyridinyl)-(1,4-diazaspiro[5.5]undecan-1-yl)methanone
CID 107520090
1-[2-(2-hydroxyphenyl)acetyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106977237

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromopyridine-2-carbonyl)-2-propylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(3-bromopyridine-2-carbonyl)-2-propylpyrrolidine-2-carboxylic acid (CID 107517270) is 1-(3-bromopyridine-2-carbonyl)-2-propylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(3-bromopyridine-2-carbonyl)-2-propylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(3-bromopyridine-2-carbonyl)-2-propylpyrrolidine-2-carboxylic acid is CCCC1(C(=O)O)CCCN1C(=O)c1ncccc1Br.
What is the InChIKey of 1-(3-bromopyridine-2-carbonyl)-2-propylpyrrolidine-2-carboxylic acid?
The InChIKey is NXVZOTCUOJVMAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O3/c1-2-6-14(13(19)20)7-4-9-17(14)12(18)11-10(15)5-3-8-16-11/h3,5,8H,2,4,6-7,9H2,1H3,(H,19,20).
What are the key properties of 1-(3-bromopyridine-2-carbonyl)-2-propylpyrrolidine-2-carboxylic acid?
1-(3-bromopyridine-2-carbonyl)-2-propylpyrrolidine-2-carboxylic acid has a molecular weight of 341.21 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromopyridine-2-carbonyl)-2-propylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 107517270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).