(2R)-2-(2,2-dibromoethenyl)pyrrolidine-1-carboxylic acid

C7H9Br2NO2 — CID 18644464

IUPAC(2R)-2-(2,2-dibromoethenyl)pyrrolidine-1-carboxylic acid
SMILESO=C(O)N1CCC[C@@H]1C=C(Br)Br
InChIInChI=1S/C7H9Br2NO2/c8-6(9)4-5-2-1-3-10(5)7(11)12/h4-5H,1-3H2,(H,11,12)/t5-/m1/s1
InChIKeyNRLAUOGZSHYJFT-RXMQYKEDSA-N
MW298.96 g/mol
LogP2.76
Rot. Bonds1

About (2R)-2-(2,2-dibromoethenyl)pyrrolidine-1-carboxylic acid

(2R)-2-(2,2-dibromoethenyl)pyrrolidine-1-carboxylic acid (PubChem CID 18644464) has the molecular formula C7H9Br2NO2 and a molecular weight of 298.96 g/mol. Its IUPAC name is (2R)-2-(2,2-dibromoethenyl)pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(2R)-2-(2,2-dibromoethenyl)pyrrolidine-1-carboxylic acid
PubChem CID18644464
Molecular FormulaC7H9Br2NO2
Molecular Weight298.96 g/mol
Exact Mass296.90
IUPAC Name(2R)-2-(2,2-dibromoethenyl)pyrrolidine-1-carboxylic acid
SMILESO=C(O)N1CCC[C@@H]1C=C(Br)Br
InChIInChI=1S/C7H9Br2NO2/c8-6(9)4-5-2-1-3-10(5)7(11)12/h4-5H,1-3H2,(H,11,12)/t5-/m1/s1
InChIKeyNRLAUOGZSHYJFT-RXMQYKEDSA-N
XLogP2.76
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.96
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (2R)-2-(2,2-dibromoethenyl)pyrrolidine-1-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

(2R)-2-(3-hydroxyprop-1-enyl)pyrrolidine-1-carboxylic acid
CID 69317593
2-[(Z)-3-ethoxy-2-fluoro-3-oxoprop-1-enyl]pyrrolidine-1-carboxylic acid
CID 174227082
2-(2-sulfamoylethenyl)pyrrolidine-1-carboxylic acid
CID 154997321
2-(2-oxoethyl)pyrrolidine-1-carboxylic acid
CID 87391824
2-fluoropyrrolidine-1-carboxylic acid
CID 23110189
(2S)-2-prop-2-enylpyrrolidine-1-carboxylic acid
CID 175456128
(2S)-2-(dichloromethyl)pyrrolidine-1-carboxylic acid
CID 91422075
(Z)-2-methyl-3-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]prop-2-enoic acid
CID 118937301
2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyrrolidine-1-carboxylic acid
CID 175961804
2-prop-2-enoylpyrrolidine-1-carboxylic acid
CID 69463823
(2R)-2-(2-bromoacetyl)pyrrolidine-1-carboxylic acid
CID 126526083
(2S)-3-hydroxy-2-methylpiperidine-1-carboxylic acid
CID 67727161

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,2-dibromoethenyl)pyrrolidine-1-carboxylic acid?
The IUPAC name of (2R)-2-(2,2-dibromoethenyl)pyrrolidine-1-carboxylic acid (CID 18644464) is (2R)-2-(2,2-dibromoethenyl)pyrrolidine-1-carboxylic acid.
What is the SMILES notation for (2R)-2-(2,2-dibromoethenyl)pyrrolidine-1-carboxylic acid?
The canonical SMILES for (2R)-2-(2,2-dibromoethenyl)pyrrolidine-1-carboxylic acid is O=C(O)N1CCC[C@@H]1C=C(Br)Br.
What is the InChIKey of (2R)-2-(2,2-dibromoethenyl)pyrrolidine-1-carboxylic acid?
The InChIKey is NRLAUOGZSHYJFT-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H9Br2NO2/c8-6(9)4-5-2-1-3-10(5)7(11)12/h4-5H,1-3H2,(H,11,12)/t5-/m1/s1.
What are the key properties of (2R)-2-(2,2-dibromoethenyl)pyrrolidine-1-carboxylic acid?
(2R)-2-(2,2-dibromoethenyl)pyrrolidine-1-carboxylic acid has a molecular weight of 298.96 g/mol, XLogP of 2.76, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,2-dibromoethenyl)pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 18644464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).