1-(3,5-dibromobenzoyl)-2-propylpyrrolidine-2-carboxylic acid

C15H17Br2NO3 — CID 107971738

IUPAC1-(3,5-dibromobenzoyl)-2-propylpyrrolidine-2-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN1C(=O)c1cc(Br)cc(Br)c1
InChIInChI=1S/C15H17Br2NO3/c1-2-4-15(14(20)21)5-3-6-18(15)13(19)10-7-11(16)9-12(17)8-10/h7-9H,2-6H2,1H3,(H,20,21)
InChIKeyGYZPKTBBPVRNIJ-UHFFFAOYSA-N
MW419.11 g/mol
LogP4.07
Rot. Bonds4

About 1-(3,5-dibromobenzoyl)-2-propylpyrrolidine-2-carboxylic acid

1-(3,5-dibromobenzoyl)-2-propylpyrrolidine-2-carboxylic acid (PubChem CID 107971738) has the molecular formula C15H17Br2NO3 and a molecular weight of 419.11 g/mol. Its IUPAC name is 1-(3,5-dibromobenzoyl)-2-propylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(3,5-dibromobenzoyl)-2-propylpyrrolidine-2-carboxylic acid
PubChem CID107971738
Molecular FormulaC15H17Br2NO3
Molecular Weight419.11 g/mol
Exact Mass416.96
IUPAC Name1-(3,5-dibromobenzoyl)-2-propylpyrrolidine-2-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN1C(=O)c1cc(Br)cc(Br)c1
InChIInChI=1S/C15H17Br2NO3/c1-2-4-15(14(20)21)5-3-6-18(15)13(19)10-7-11(16)9-12(17)8-10/h7-9H,2-6H2,1H3,(H,20,21)
InChIKeyGYZPKTBBPVRNIJ-UHFFFAOYSA-N
XLogP4.07
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.11
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-5-methylbenzoyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977097
1-(4-bromo-2-chlorobenzoyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977125
1-(2-bromo-5-methylbenzoyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977105
1-(3-amino-4-methylbenzoyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106975988
1-(3-chloro-4-fluorobenzoyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977027
1-(2-bromo-4-chlorobenzoyl)-2-propylpyrrolidine-2-carboxylic acid
CID 107987017
1-(3-bromo-2-fluorobenzoyl)-2-propylpyrrolidine-2-carboxylic acid
CID 107949526
1-(3-bromopyridine-2-carbonyl)-2-propylpyrrolidine-2-carboxylic acid
CID 107517270
1-(5-methylpyrazine-2-carbonyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977113
1-(3,6-dimethylpyridazine-4-carbonyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106976953
2-propyl-1-(1,3-thiazole-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 106977186
1-(2-fluoro-4-methylbenzoyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977024

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dibromobenzoyl)-2-propylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(3,5-dibromobenzoyl)-2-propylpyrrolidine-2-carboxylic acid (CID 107971738) is 1-(3,5-dibromobenzoyl)-2-propylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(3,5-dibromobenzoyl)-2-propylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(3,5-dibromobenzoyl)-2-propylpyrrolidine-2-carboxylic acid is CCCC1(C(=O)O)CCCN1C(=O)c1cc(Br)cc(Br)c1.
What is the InChIKey of 1-(3,5-dibromobenzoyl)-2-propylpyrrolidine-2-carboxylic acid?
The InChIKey is GYZPKTBBPVRNIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Br2NO3/c1-2-4-15(14(20)21)5-3-6-18(15)13(19)10-7-11(16)9-12(17)8-10/h7-9H,2-6H2,1H3,(H,20,21).
What are the key properties of 1-(3,5-dibromobenzoyl)-2-propylpyrrolidine-2-carboxylic acid?
1-(3,5-dibromobenzoyl)-2-propylpyrrolidine-2-carboxylic acid has a molecular weight of 419.11 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dibromobenzoyl)-2-propylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 107971738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).