1-[1-(3-bromophenyl)propyl]-2-methylpyrrolidine-2-carboxylic acid

C15H20BrNO2 — CID 114079270

IUPAC1-[1-(3-bromophenyl)propyl]-2-methylpyrrolidine-2-carboxylic acid
SMILESCCC(c1cccc(Br)c1)N1CCCC1(C)C(=O)O
InChIInChI=1S/C15H20BrNO2/c1-3-13(11-6-4-7-12(16)10-11)17-9-5-8-15(17,2)14(18)19/h4,6-7,10,13H,3,5,8-9H2,1-2H3,(H,18,19)
InChIKeyFWXMEILDISQQJX-UHFFFAOYSA-N
MW326.23 g/mol
LogP3.84
Rot. Bonds4

About 1-[1-(3-bromophenyl)propyl]-2-methylpyrrolidine-2-carboxylic acid

1-[1-(3-bromophenyl)propyl]-2-methylpyrrolidine-2-carboxylic acid (PubChem CID 114079270) has the molecular formula C15H20BrNO2 and a molecular weight of 326.23 g/mol. Its IUPAC name is 1-[1-(3-bromophenyl)propyl]-2-methylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[1-(3-bromophenyl)propyl]-2-methylpyrrolidine-2-carboxylic acid
PubChem CID114079270
Molecular FormulaC15H20BrNO2
Molecular Weight326.23 g/mol
Exact Mass325.07
IUPAC Name1-[1-(3-bromophenyl)propyl]-2-methylpyrrolidine-2-carboxylic acid
SMILESCCC(c1cccc(Br)c1)N1CCCC1(C)C(=O)O
InChIInChI=1S/C15H20BrNO2/c1-3-13(11-6-4-7-12(16)10-11)17-9-5-8-15(17,2)14(18)19/h4,6-7,10,13H,3,5,8-9H2,1-2H3,(H,18,19)
InChIKeyFWXMEILDISQQJX-UHFFFAOYSA-N
XLogP3.84
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.23
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[1-(3-bromophenyl)propyl]-2-methylpyrrolidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-(3-chlorophenyl)propyl]-2-methylpiperidine-2-carboxylic acid
CID 104599302
1-[1-(furan-2-yl)propyl]-2-methylpyrrolidine-2-carboxylic acid
CID 65071570
2-methyl-1-(1-phenylbutyl)piperidine-2-carboxylic acid
CID 104599033
2-(3-bromophenyl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine
CID 63215857
1-[1-(3-bromophenyl)ethyl]-3-ethylpyrrolidine-3-carboxylic acid
CID 65064418
1-[(3-bromophenyl)methyl]-2-methylpiperidine-2-carboxylic acid
CID 104598930
2-methyl-1-(3-methylpentan-2-yl)pyrrolidine-2-carboxylic acid
CID 65071311
4-(3-bromophenyl)-4-piperidin-1-ylbutan-2-one
CID 82135319
2-methyl-1-(1-pyridin-4-ylethyl)pyrrolidine-2-carboxylic acid
CID 65070819
2-methyl-1-pentan-2-ylpyrrolidine-2-carboxylic acid
CID 65071376
1-(3-bromobenzoyl)-3-methylpiperidine-3-carboxylic acid
CID 63133748
1-[1-(3-bromophenyl)pentyl]piperidine-3-carboxylic acid
CID 3359274

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-bromophenyl)propyl]-2-methylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[1-(3-bromophenyl)propyl]-2-methylpyrrolidine-2-carboxylic acid (CID 114079270) is 1-[1-(3-bromophenyl)propyl]-2-methylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[1-(3-bromophenyl)propyl]-2-methylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[1-(3-bromophenyl)propyl]-2-methylpyrrolidine-2-carboxylic acid is CCC(c1cccc(Br)c1)N1CCCC1(C)C(=O)O.
What is the InChIKey of 1-[1-(3-bromophenyl)propyl]-2-methylpyrrolidine-2-carboxylic acid?
The InChIKey is FWXMEILDISQQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO2/c1-3-13(11-6-4-7-12(16)10-11)17-9-5-8-15(17,2)14(18)19/h4,6-7,10,13H,3,5,8-9H2,1-2H3,(H,18,19).
What are the key properties of 1-[1-(3-bromophenyl)propyl]-2-methylpyrrolidine-2-carboxylic acid?
1-[1-(3-bromophenyl)propyl]-2-methylpyrrolidine-2-carboxylic acid has a molecular weight of 326.23 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-bromophenyl)propyl]-2-methylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 114079270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).