(2R,4R)-4-hydroxy-1-(thiadiazol-5-ylcarbamoyl)pyrrolidine-2-carboxylic acid

C8H10N4O4S — CID 104983007

IUPAC(2R,4R)-4-hydroxy-1-(thiadiazol-5-ylcarbamoyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1C[C@@H](O)CN1C(=O)Nc1cnns1
InChIInChI=1S/C8H10N4O4S/c13-4-1-5(7(14)15)12(3-4)8(16)10-6-2-9-11-17-6/h2,4-5,13H,1,3H2,(H,10,16)(H,14,15)/t4-,5-/m1/s1
InChIKeyZUBFVDNOOUSXRN-RFZPGFLSSA-N
MW258.26 g/mol
LogP-0.41
Rot. Bonds2

About (2R,4R)-4-hydroxy-1-(thiadiazol-5-ylcarbamoyl)pyrrolidine-2-carboxylic acid

(2R,4R)-4-hydroxy-1-(thiadiazol-5-ylcarbamoyl)pyrrolidine-2-carboxylic acid (PubChem CID 104983007) has the molecular formula C8H10N4O4S and a molecular weight of 258.26 g/mol. Its IUPAC name is (2R,4R)-4-hydroxy-1-(thiadiazol-5-ylcarbamoyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R,4R)-4-hydroxy-1-(thiadiazol-5-ylcarbamoyl)pyrrolidine-2-carboxylic acid
PubChem CID104983007
Molecular FormulaC8H10N4O4S
Molecular Weight258.26 g/mol
Exact Mass258.04
IUPAC Name(2R,4R)-4-hydroxy-1-(thiadiazol-5-ylcarbamoyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1C[C@@H](O)CN1C(=O)Nc1cnns1
InChIInChI=1S/C8H10N4O4S/c13-4-1-5(7(14)15)12(3-4)8(16)10-6-2-9-11-17-6/h2,4-5,13H,1,3H2,(H,10,16)(H,14,15)/t4-,5-/m1/s1
InChIKeyZUBFVDNOOUSXRN-RFZPGFLSSA-N
XLogP-0.41
TPSA115.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.26
LogP ≤ 5-0.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-4-hydroxy-1-(thiatriazol-5-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 104983041
(2R,4R)-4-hydroxy-1-(pyrimidin-5-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 107589213
(2R,4R)-4-hydroxy-1-(pyrimidin-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 78999486
(2S,4R)-1-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 63842344
(2S)-4-hydroxy-1-(phenylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 61143269
1-[(4-chlorophenyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 43185753
(2S)-1-[(2,6-dibromophenyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 107601792
4-hydroxy-1-[(2,4,5-trichlorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61182258
(2S,4S)-4-hydroxy-1-[(3,4,5-trifluorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 64714832
2-ethyl-3-(thiadiazol-5-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 114913090
(2R,4R)-4-hydroxy-1-[(1-propan-2-ylpyrazol-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 78999623
(2S,4R)-1-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 63843387

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-4-hydroxy-1-(thiadiazol-5-ylcarbamoyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R,4R)-4-hydroxy-1-(thiadiazol-5-ylcarbamoyl)pyrrolidine-2-carboxylic acid (CID 104983007) is (2R,4R)-4-hydroxy-1-(thiadiazol-5-ylcarbamoyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R,4R)-4-hydroxy-1-(thiadiazol-5-ylcarbamoyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R,4R)-4-hydroxy-1-(thiadiazol-5-ylcarbamoyl)pyrrolidine-2-carboxylic acid is O=C(O)[C@H]1C[C@@H](O)CN1C(=O)Nc1cnns1.
What is the InChIKey of (2R,4R)-4-hydroxy-1-(thiadiazol-5-ylcarbamoyl)pyrrolidine-2-carboxylic acid?
The InChIKey is ZUBFVDNOOUSXRN-RFZPGFLSSA-N. The full InChI is InChI=1S/C8H10N4O4S/c13-4-1-5(7(14)15)12(3-4)8(16)10-6-2-9-11-17-6/h2,4-5,13H,1,3H2,(H,10,16)(H,14,15)/t4-,5-/m1/s1.
What are the key properties of (2R,4R)-4-hydroxy-1-(thiadiazol-5-ylcarbamoyl)pyrrolidine-2-carboxylic acid?
(2R,4R)-4-hydroxy-1-(thiadiazol-5-ylcarbamoyl)pyrrolidine-2-carboxylic acid has a molecular weight of 258.26 g/mol, XLogP of -0.41, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-4-hydroxy-1-(thiadiazol-5-ylcarbamoyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 104983007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).