5-(4-bromophenyl)pyrrolidine-3-carboxylic acid

C11H12BrNO2 — CID 82625541

IUPAC5-(4-bromophenyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CNC(c2ccc(Br)cc2)C1
InChIInChI=1S/C11H12BrNO2/c12-9-3-1-7(2-4-9)10-5-8(6-13-10)11(14)15/h1-4,8,10,13H,5-6H2,(H,14,15)
InChIKeyRGCPKDASDILUTI-UHFFFAOYSA-N
MW270.13 g/mol
LogP2.18
Rot. Bonds2

About 5-(4-bromophenyl)pyrrolidine-3-carboxylic acid

5-(4-bromophenyl)pyrrolidine-3-carboxylic acid (PubChem CID 82625541) has the molecular formula C11H12BrNO2 and a molecular weight of 270.13 g/mol. Its IUPAC name is 5-(4-bromophenyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name5-(4-bromophenyl)pyrrolidine-3-carboxylic acid
PubChem CID82625541
Molecular FormulaC11H12BrNO2
Molecular Weight270.13 g/mol
Exact Mass269.01
IUPAC Name5-(4-bromophenyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CNC(c2ccc(Br)cc2)C1
InChIInChI=1S/C11H12BrNO2/c12-9-3-1-7(2-4-9)10-5-8(6-13-10)11(14)15/h1-4,8,10,13H,5-6H2,(H,14,15)
InChIKeyRGCPKDASDILUTI-UHFFFAOYSA-N
XLogP2.18
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.13
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4-cyclobutylphenyl)pyrrolidine-3-carboxylic acid
CID 117365462
5-[4-(difluoromethyl)phenyl]pyrrolidine-3-carboxylic acid
CID 117354565
5-(4-bromo-3-fluorophenyl)pyrrolidine-3-carboxylic acid
CID 117464706
5-[4-(2-hydroxypropan-2-yl)phenyl]pyrrolidine-3-carboxylic acid
CID 117116960
5-[4-(1-methylazetidin-3-yl)phenyl]pyrrolidine-3-carboxylic acid
CID 117405334
5-(5-bromo-2-methylphenyl)pyrrolidine-3-carboxylic acid
CID 117457023
5-[4-(2-methoxyethoxy)phenyl]pyrrolidine-3-carboxylic acid
CID 117416959
5-[3-bromo-4-(methoxymethyl)phenyl]pyrrolidine-3-carboxylic acid
CID 117499252
5-[4-(1H-imidazol-2-yl)phenyl]pyrrolidine-3-carboxylic acid
CID 117396333
5-(4-imidazol-1-ylphenyl)pyrrolidine-3-carboxylic acid
CID 117396339
5-(1H-indol-6-yl)pyrrolidine-3-carboxylic acid
CID 117332582
5-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)pyrrolidine-3-carboxylic acid
CID 117439869

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 5-(4-bromophenyl)pyrrolidine-3-carboxylic acid (CID 82625541) is 5-(4-bromophenyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 5-(4-bromophenyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 5-(4-bromophenyl)pyrrolidine-3-carboxylic acid is O=C(O)C1CNC(c2ccc(Br)cc2)C1.
What is the InChIKey of 5-(4-bromophenyl)pyrrolidine-3-carboxylic acid?
The InChIKey is RGCPKDASDILUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO2/c12-9-3-1-7(2-4-9)10-5-8(6-13-10)11(14)15/h1-4,8,10,13H,5-6H2,(H,14,15).
What are the key properties of 5-(4-bromophenyl)pyrrolidine-3-carboxylic acid?
5-(4-bromophenyl)pyrrolidine-3-carboxylic acid has a molecular weight of 270.13 g/mol, XLogP of 2.18, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 82625541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).