(2R,4R)-1-(2-bromoprop-2-enylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid

C9H13BrN2O4 — CID 104861258

IUPAC(2R,4R)-1-(2-bromoprop-2-enylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid
SMILESC=C(Br)CNC(=O)N1C[C@H](O)C[C@@H]1C(=O)O
InChIInChI=1S/C9H13BrN2O4/c1-5(10)3-11-9(16)12-4-6(13)2-7(12)8(14)15/h6-7,13H,1-4H2,(H,11,16)(H,14,15)/t6-,7-/m1/s1
InChIKeyIKRIEBLGWYORTJ-RNFRBKRXSA-N
MW293.12 g/mol
LogP0.12
Rot. Bonds3

About (2R,4R)-1-(2-bromoprop-2-enylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid

(2R,4R)-1-(2-bromoprop-2-enylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 104861258) has the molecular formula C9H13BrN2O4 and a molecular weight of 293.12 g/mol. Its IUPAC name is (2R,4R)-1-(2-bromoprop-2-enylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R,4R)-1-(2-bromoprop-2-enylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID104861258
Molecular FormulaC9H13BrN2O4
Molecular Weight293.12 g/mol
Exact Mass292.01
IUPAC Name(2R,4R)-1-(2-bromoprop-2-enylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid
SMILESC=C(Br)CNC(=O)N1C[C@H](O)C[C@@H]1C(=O)O
InChIInChI=1S/C9H13BrN2O4/c1-5(10)3-11-9(16)12-4-6(13)2-7(12)8(14)15/h6-7,13H,1-4H2,(H,11,16)(H,14,15)/t6-,7-/m1/s1
InChIKeyIKRIEBLGWYORTJ-RNFRBKRXSA-N
XLogP0.12
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.12
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,4R)-1-(2-bromoprop-2-enylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of (2R,4R)-1-(2-bromoprop-2-enylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid (CID 104861258) is (2R,4R)-1-(2-bromoprop-2-enylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R,4R)-1-(2-bromoprop-2-enylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R,4R)-1-(2-bromoprop-2-enylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid is C=C(Br)CNC(=O)N1C[C@H](O)C[C@@H]1C(=O)O.
What is the InChIKey of (2R,4R)-1-(2-bromoprop-2-enylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is IKRIEBLGWYORTJ-RNFRBKRXSA-N. The full InChI is InChI=1S/C9H13BrN2O4/c1-5(10)3-11-9(16)12-4-6(13)2-7(12)8(14)15/h6-7,13H,1-4H2,(H,11,16)(H,14,15)/t6-,7-/m1/s1.
What are the key properties of (2R,4R)-1-(2-bromoprop-2-enylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid?
(2R,4R)-1-(2-bromoprop-2-enylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 293.12 g/mol, XLogP of 0.12, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-1-(2-bromoprop-2-enylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 104861258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).