(2S)-4-hydroxy-1-[(5-methyl-1,3-thiazol-2-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid

C11H15N3O4S — CID 114128690

IUPAC(2S)-4-hydroxy-1-[(5-methyl-1,3-thiazol-2-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
SMILESCc1cnc(CNC(=O)N2CC(O)C[C@H]2C(=O)O)s1
InChIInChI=1S/C11H15N3O4S/c1-6-3-12-9(19-6)4-13-11(18)14-5-7(15)2-8(14)10(16)17/h3,7-8,15H,2,4-5H2,1H3,(H,13,18)(H,16,17)/t7?,8-/m0/s1
InChIKeyJGULVLWIHLDRGL-MQWKRIRWSA-N
MW285.32 g/mol
LogP0.18
Rot. Bonds3

About (2S)-4-hydroxy-1-[(5-methyl-1,3-thiazol-2-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid

(2S)-4-hydroxy-1-[(5-methyl-1,3-thiazol-2-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid (PubChem CID 114128690) has the molecular formula C11H15N3O4S and a molecular weight of 285.32 g/mol. Its IUPAC name is (2S)-4-hydroxy-1-[(5-methyl-1,3-thiazol-2-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-4-hydroxy-1-[(5-methyl-1,3-thiazol-2-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
PubChem CID114128690
Molecular FormulaC11H15N3O4S
Molecular Weight285.32 g/mol
Exact Mass285.08
IUPAC Name(2S)-4-hydroxy-1-[(5-methyl-1,3-thiazol-2-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
SMILESCc1cnc(CNC(=O)N2CC(O)C[C@H]2C(=O)O)s1
InChIInChI=1S/C11H15N3O4S/c1-6-3-12-9(19-6)4-13-11(18)14-5-7(15)2-8(14)10(16)17/h3,7-8,15H,2,4-5H2,1H3,(H,13,18)(H,16,17)/t7?,8-/m0/s1
InChIKeyJGULVLWIHLDRGL-MQWKRIRWSA-N
XLogP0.18
TPSA102.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-hydroxy-1-[(5-methylpyrazin-2-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 62846490
(2S,4R)-4-hydroxy-1-[(5-methylthiophen-2-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 63842711
(2S,4R)-4-hydroxy-1-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 63842548
(2R,4R)-1-[(4,5-dimethylthiophen-2-yl)methylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 79005050
(2R,4R)-4-hydroxy-1-[(6-methyl-2-pyridinyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78999350
(2R,4R)-1-[(1,5-dimethylpyrazol-4-yl)methylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 106037747
(2S,4R)-1-[(5-ethylthiophen-2-yl)methylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 106005542
4-hydroxy-1-[(1,3,5-trimethylpyrazol-4-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 79233469
(2R,4R)-1-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 106374163
(2S)-4-hydroxy-1-[(2-methylphenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 61203885
4-hydroxy-1-(pyridin-4-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 61200630
(2S,4S)-1-[(2-ethylphenyl)methylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 64712406

Frequently Asked Questions

What is the IUPAC name of (2S)-4-hydroxy-1-[(5-methyl-1,3-thiazol-2-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-4-hydroxy-1-[(5-methyl-1,3-thiazol-2-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid (CID 114128690) is (2S)-4-hydroxy-1-[(5-methyl-1,3-thiazol-2-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-4-hydroxy-1-[(5-methyl-1,3-thiazol-2-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-4-hydroxy-1-[(5-methyl-1,3-thiazol-2-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid is Cc1cnc(CNC(=O)N2CC(O)C[C@H]2C(=O)O)s1.
What is the InChIKey of (2S)-4-hydroxy-1-[(5-methyl-1,3-thiazol-2-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is JGULVLWIHLDRGL-MQWKRIRWSA-N. The full InChI is InChI=1S/C11H15N3O4S/c1-6-3-12-9(19-6)4-13-11(18)14-5-7(15)2-8(14)10(16)17/h3,7-8,15H,2,4-5H2,1H3,(H,13,18)(H,16,17)/t7?,8-/m0/s1.
What are the key properties of (2S)-4-hydroxy-1-[(5-methyl-1,3-thiazol-2-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid?
(2S)-4-hydroxy-1-[(5-methyl-1,3-thiazol-2-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 285.32 g/mol, XLogP of 0.18, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-hydroxy-1-[(5-methyl-1,3-thiazol-2-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 114128690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).