(2S)-1-(4,5-dibromothiophene-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid

C10H9Br2NO4S — CID 61152244

IUPAC(2S)-1-(4,5-dibromothiophene-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CC(O)CN1C(=O)c1cc(Br)c(Br)s1
InChIInChI=1S/C10H9Br2NO4S/c11-5-2-7(18-8(5)12)9(15)13-3-4(14)1-6(13)10(16)17/h2,4,6,14H,1,3H2,(H,16,17)/t4?,6-/m0/s1
InChIKeyCQWPYXIKODESQX-RZKHNPSRSA-N
MW399.06 g/mol
LogP1.93
Rot. Bonds2

About (2S)-1-(4,5-dibromothiophene-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid

(2S)-1-(4,5-dibromothiophene-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 61152244) has the molecular formula C10H9Br2NO4S and a molecular weight of 399.06 g/mol. Its IUPAC name is (2S)-1-(4,5-dibromothiophene-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(4,5-dibromothiophene-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID61152244
Molecular FormulaC10H9Br2NO4S
Molecular Weight399.06 g/mol
Exact Mass396.86
IUPAC Name(2S)-1-(4,5-dibromothiophene-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CC(O)CN1C(=O)c1cc(Br)c(Br)s1
InChIInChI=1S/C10H9Br2NO4S/c11-5-2-7(18-8(5)12)9(15)13-3-4(14)1-6(13)10(16)17/h2,4,6,14H,1,3H2,(H,16,17)/t4?,6-/m0/s1
InChIKeyCQWPYXIKODESQX-RZKHNPSRSA-N
XLogP1.93
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.06
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-(2-bromobenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 61151791
(2S,4R)-1-(5-ethylthiophene-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 63857292
(2S,4S)-1-(4-bromo-1-methylpyrrole-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 28741579
(2S,4R)-1-(5-amino-2-bromobenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 115297354
(2S,4S)-1-(3-bromo-4-fluorobenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 114019641
(2S,4R)-1-(2-bromo-5-iodobenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 114027432
(2S)-4-hydroxy-1-(5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 61152528
(4,5-dibromothiophen-2-yl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 79030031
(4,5-dibromothiophen-2-yl)-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)methanone
CID 114247458
(2S,4S)-1-(3-bromo-5-chlorobenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 114018207
(2S,4R)-1-(3-bromo-5-fluorobenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 63841964
(2S,4R)-4-hydroxy-1-(1-methyl-4-sulfamoylpyrrole-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 63856930

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4,5-dibromothiophene-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(4,5-dibromothiophene-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid (CID 61152244) is (2S)-1-(4,5-dibromothiophene-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(4,5-dibromothiophene-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(4,5-dibromothiophene-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1CC(O)CN1C(=O)c1cc(Br)c(Br)s1.
What is the InChIKey of (2S)-1-(4,5-dibromothiophene-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is CQWPYXIKODESQX-RZKHNPSRSA-N. The full InChI is InChI=1S/C10H9Br2NO4S/c11-5-2-7(18-8(5)12)9(15)13-3-4(14)1-6(13)10(16)17/h2,4,6,14H,1,3H2,(H,16,17)/t4?,6-/m0/s1.
What are the key properties of (2S)-1-(4,5-dibromothiophene-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
(2S)-1-(4,5-dibromothiophene-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 399.06 g/mol, XLogP of 1.93, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4,5-dibromothiophene-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 61152244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).