1-(3-chloro-4-methylthiophene-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid

C11H12ClNO4S — CID 103399931

IUPAC1-(3-chloro-4-methylthiophene-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
SMILESCc1csc(C(=O)N2CC(O)CC2C(=O)O)c1Cl
InChIInChI=1S/C11H12ClNO4S/c1-5-4-18-9(8(5)12)10(15)13-3-6(14)2-7(13)11(16)17/h4,6-7,14H,2-3H2,1H3,(H,16,17)
InChIKeyUVKQAQBGCVRVDX-UHFFFAOYSA-N
MW289.74 g/mol
LogP1.37
Rot. Bonds2

About 1-(3-chloro-4-methylthiophene-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid

1-(3-chloro-4-methylthiophene-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 103399931) has the molecular formula C11H12ClNO4S and a molecular weight of 289.74 g/mol. Its IUPAC name is 1-(3-chloro-4-methylthiophene-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(3-chloro-4-methylthiophene-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID103399931
Molecular FormulaC11H12ClNO4S
Molecular Weight289.74 g/mol
Exact Mass289.02
IUPAC Name1-(3-chloro-4-methylthiophene-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
SMILESCc1csc(C(=O)N2CC(O)CC2C(=O)O)c1Cl
InChIInChI=1S/C11H12ClNO4S/c1-5-4-18-9(8(5)12)10(15)13-3-6(14)2-7(13)11(16)17/h4,6-7,14H,2-3H2,1H3,(H,16,17)
InChIKeyUVKQAQBGCVRVDX-UHFFFAOYSA-N
XLogP1.37
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.74
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4S)-4-hydroxy-1-(4-methylthiophene-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 79802956
(2S)-4-hydroxy-1-(2-methyl-1,3-thiazole-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 65199509
(2S)-4-hydroxy-1-(3-methyl-1-benzothiophene-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 61152228
(2S,4S)-1-(4-chloro-3-methylbenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 113397107
(2R,4R)-1-(5-chloro-2-methylbenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 82883948
1-(3-chloro-4-methylthiophene-2-carbonyl)-2,3-dihydroindole-2-carboxylic acid
CID 103399961
1-(3-chloro-2-methylbenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 107095823
(2S,4R)-1-(4-chlorobenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 30051868
(2S)-1-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 62794481
3-(3-chloro-4-methylthiophene-2-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 103400135
(2S,4R)-1-(2-chloro-5-nitrobenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 63841965
(2S)-4-hydroxy-1-(3-methylfuran-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 61151938

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylthiophene-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(3-chloro-4-methylthiophene-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid (CID 103399931) is 1-(3-chloro-4-methylthiophene-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(3-chloro-4-methylthiophene-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(3-chloro-4-methylthiophene-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid is Cc1csc(C(=O)N2CC(O)CC2C(=O)O)c1Cl.
What is the InChIKey of 1-(3-chloro-4-methylthiophene-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is UVKQAQBGCVRVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO4S/c1-5-4-18-9(8(5)12)10(15)13-3-6(14)2-7(13)11(16)17/h4,6-7,14H,2-3H2,1H3,(H,16,17).
What are the key properties of 1-(3-chloro-4-methylthiophene-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
1-(3-chloro-4-methylthiophene-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 289.74 g/mol, XLogP of 1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylthiophene-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 103399931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).