(3R)-1-[(1R,2S)-2-(4-bromophenyl)cyclopropanecarbonyl]pyrrolidine-3-carboxylic acid

C15H16BrNO3 — CID 125147595

IUPAC(3R)-1-[(1R,2S)-2-(4-bromophenyl)cyclopropanecarbonyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(Br)cc2)C1
InChIInChI=1S/C15H16BrNO3/c16-11-3-1-9(2-4-11)12-7-13(12)14(18)17-6-5-10(8-17)15(19)20/h1-4,10,12-13H,5-8H2,(H,19,20)/t10-,12-,13-/m1/s1
InChIKeyBVOIQTVGWCTVGG-RAIGVLPGSA-N
MW338.20 g/mol
LogP2.49
Rot. Bonds3

About (3R)-1-[(1R,2S)-2-(4-bromophenyl)cyclopropanecarbonyl]pyrrolidine-3-carboxylic acid

(3R)-1-[(1R,2S)-2-(4-bromophenyl)cyclopropanecarbonyl]pyrrolidine-3-carboxylic acid (PubChem CID 125147595) has the molecular formula C15H16BrNO3 and a molecular weight of 338.20 g/mol. Its IUPAC name is (3R)-1-[(1R,2S)-2-(4-bromophenyl)cyclopropanecarbonyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-[(1R,2S)-2-(4-bromophenyl)cyclopropanecarbonyl]pyrrolidine-3-carboxylic acid
PubChem CID125147595
Molecular FormulaC15H16BrNO3
Molecular Weight338.20 g/mol
Exact Mass337.03
IUPAC Name(3R)-1-[(1R,2S)-2-(4-bromophenyl)cyclopropanecarbonyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(Br)cc2)C1
InChIInChI=1S/C15H16BrNO3/c16-11-3-1-9(2-4-11)12-7-13(12)14(18)17-6-5-10(8-17)15(19)20/h1-4,10,12-13H,5-8H2,(H,19,20)/t10-,12-,13-/m1/s1
InChIKeyBVOIQTVGWCTVGG-RAIGVLPGSA-N
XLogP2.49
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.20
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1R,2S)-2-(4-bromophenyl)cyclopropanecarbonyl]piperidine-4-carboxylic acid
CID 124702063
1-[(1R,2R)-2-(4-bromophenyl)cyclopropanecarbonyl]piperidine-4-carboxylic acid
CID 124702078
1-[(1S,2S)-2-(4-bromophenyl)cyclopropanecarbonyl]piperidine-4-carboxylic acid
CID 124702121
1-[2-(4-bromophenyl)cyclopropanecarbonyl]piperidine-4-carboxylic acid
CID 119166718
(3R)-1-[(1R,2R)-2-(4-propan-2-ylphenyl)cyclopropanecarbonyl]pyrrolidine-3-carboxylic acid
CID 124682756
[(1S,2S)-2-(4-bromophenyl)cyclopropyl]-pyrrolidin-1-ylmethanone
CID 66796086
(3-aminopyrrolidin-1-yl)-[2-(4-bromophenyl)cyclopropyl]methanone;hydrochloride
CID 119482952
(3R)-1-[(1R,2S)-2-(4-fluorophenyl)cyclopropanecarbonyl]piperidine-3-carboxylic acid
CID 125132949
(3R)-1-[(1S,2S)-2-(3,5-dichlorophenyl)cyclopropanecarbonyl]pyrrolidine-3-carboxylic acid
CID 125134395
(3R)-1-[(1S,2S)-2-(3-bromophenyl)cyclopropanecarbonyl]piperidine-3-carboxylic acid
CID 125148642
1-[2-(3-bromophenyl)cyclopropanecarbonyl]piperidine-4-carboxylic acid
CID 119166076
1-[2-(4-propan-2-ylphenyl)cyclopropanecarbonyl]piperidine-3-carboxylic acid
CID 119167741

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(1R,2S)-2-(4-bromophenyl)cyclopropanecarbonyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of (3R)-1-[(1R,2S)-2-(4-bromophenyl)cyclopropanecarbonyl]pyrrolidine-3-carboxylic acid (CID 125147595) is (3R)-1-[(1R,2S)-2-(4-bromophenyl)cyclopropanecarbonyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-[(1R,2S)-2-(4-bromophenyl)cyclopropanecarbonyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-[(1R,2S)-2-(4-bromophenyl)cyclopropanecarbonyl]pyrrolidine-3-carboxylic acid is O=C(O)[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(Br)cc2)C1.
What is the InChIKey of (3R)-1-[(1R,2S)-2-(4-bromophenyl)cyclopropanecarbonyl]pyrrolidine-3-carboxylic acid?
The InChIKey is BVOIQTVGWCTVGG-RAIGVLPGSA-N. The full InChI is InChI=1S/C15H16BrNO3/c16-11-3-1-9(2-4-11)12-7-13(12)14(18)17-6-5-10(8-17)15(19)20/h1-4,10,12-13H,5-8H2,(H,19,20)/t10-,12-,13-/m1/s1.
What are the key properties of (3R)-1-[(1R,2S)-2-(4-bromophenyl)cyclopropanecarbonyl]pyrrolidine-3-carboxylic acid?
(3R)-1-[(1R,2S)-2-(4-bromophenyl)cyclopropanecarbonyl]pyrrolidine-3-carboxylic acid has a molecular weight of 338.20 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(1R,2S)-2-(4-bromophenyl)cyclopropanecarbonyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 125147595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).