(2R)-1-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)pyrrolidine-2-carboxylic acid

C13H15BrN2O3 — CID 78922359

IUPAC(2R)-1-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1C(=O)c1cc(Br)cn1C1CC1
InChIInChI=1S/C13H15BrN2O3/c14-8-6-11(16(7-8)9-3-4-9)12(17)15-5-1-2-10(15)13(18)19/h6-7,9-10H,1-5H2,(H,18,19)/t10-/m1/s1
InChIKeyWZVVOJNWPJDTBB-SNVBAGLBSA-N
MW327.18 g/mol
LogP2.27
Rot. Bonds3

About (2R)-1-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)pyrrolidine-2-carboxylic acid

(2R)-1-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 78922359) has the molecular formula C13H15BrN2O3 and a molecular weight of 327.18 g/mol. Its IUPAC name is (2R)-1-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID78922359
Molecular FormulaC13H15BrN2O3
Molecular Weight327.18 g/mol
Exact Mass326.03
IUPAC Name(2R)-1-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1C(=O)c1cc(Br)cn1C1CC1
InChIInChI=1S/C13H15BrN2O3/c14-8-6-11(16(7-8)9-3-4-9)12(17)15-5-1-2-10(15)13(18)19/h6-7,9-10H,1-5H2,(H,18,19)/t10-/m1/s1
InChIKeyWZVVOJNWPJDTBB-SNVBAGLBSA-N
XLogP2.27
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.18
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)piperidine-2-carboxylic acid
CID 79034455
(2S)-1-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)piperidine-2-carboxylic acid
CID 66264683
1-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)-3-methylpyrrolidine-2-carboxylic acid
CID 102775816
1-(1-cyclopropylpyrrole-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 43639281
2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl-(4-bromo-1-cyclopropylpyrrol-2-yl)methanone
CID 102679518
1-(4-bromo-1-propan-2-ylpyrrole-2-carbonyl)azepane-2-carboxylic acid
CID 64558595
4-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)morpholine-3-carboxamide
CID 83095402
(2R)-1-(1-cyclopropylpyrrole-2-carbonyl)piperidine-2-carboxylic acid
CID 79034669
(2S)-1-(3-bromo-5-fluorobenzoyl)pyrrolidine-2-carboxylic acid
CID 61137360
(4-bromo-1-cyclopropylpyrrol-2-yl)-(4-methylpiperazin-1-yl)methanone
CID 43640610
1-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)-4-methylpyrrolidine-3-carboxylic acid
CID 63721878
(4-bromo-1-cyclopropylpyrrol-2-yl)-(2-methylpiperazin-1-yl)methanone
CID 62674187

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)pyrrolidine-2-carboxylic acid (CID 78922359) is (2R)-1-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)pyrrolidine-2-carboxylic acid is O=C(O)[C@H]1CCCN1C(=O)c1cc(Br)cn1C1CC1.
What is the InChIKey of (2R)-1-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is WZVVOJNWPJDTBB-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H15BrN2O3/c14-8-6-11(16(7-8)9-3-4-9)12(17)15-5-1-2-10(15)13(18)19/h6-7,9-10H,1-5H2,(H,18,19)/t10-/m1/s1.
What are the key properties of (2R)-1-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)pyrrolidine-2-carboxylic acid?
(2R)-1-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 327.18 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 78922359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).