(2R,4R)-4-hydroxy-1-(thian-3-ylcarbamoyl)pyrrolidine-2-carboxylic acid

C11H18N2O4S — CID 104870656

IUPAC(2R,4R)-4-hydroxy-1-(thian-3-ylcarbamoyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1C[C@@H](O)CN1C(=O)NC1CCCSC1
InChIInChI=1S/C11H18N2O4S/c14-8-4-9(10(15)16)13(5-8)11(17)12-7-2-1-3-18-6-7/h7-9,14H,1-6H2,(H,12,17)(H,15,16)/t7?,8-,9-/m1/s1
InChIKeyNFADOGRJKXQNNR-CFCGPWAMSA-N
MW274.34 g/mol
LogP0.11
Rot. Bonds2

About (2R,4R)-4-hydroxy-1-(thian-3-ylcarbamoyl)pyrrolidine-2-carboxylic acid

(2R,4R)-4-hydroxy-1-(thian-3-ylcarbamoyl)pyrrolidine-2-carboxylic acid (PubChem CID 104870656) has the molecular formula C11H18N2O4S and a molecular weight of 274.34 g/mol. Its IUPAC name is (2R,4R)-4-hydroxy-1-(thian-3-ylcarbamoyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R,4R)-4-hydroxy-1-(thian-3-ylcarbamoyl)pyrrolidine-2-carboxylic acid
PubChem CID104870656
Molecular FormulaC11H18N2O4S
Molecular Weight274.34 g/mol
Exact Mass274.10
IUPAC Name(2R,4R)-4-hydroxy-1-(thian-3-ylcarbamoyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1C[C@@H](O)CN1C(=O)NC1CCCSC1
InChIInChI=1S/C11H18N2O4S/c14-8-4-9(10(15)16)13(5-8)11(17)12-7-2-1-3-18-6-7/h7-9,14H,1-6H2,(H,12,17)(H,15,16)/t7?,8-,9-/m1/s1
InChIKeyNFADOGRJKXQNNR-CFCGPWAMSA-N
XLogP0.11
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2R,4R)-4-hydroxy-1-(thian-3-ylcarbamoyl)pyrrolidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,4R)-1-(cyclooctylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 63841825
(2S)-1-(cyclopropylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 61187010
(2S,4R)-4-hydroxy-1-(oxan-3-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 63843068
4-hydroxy-1-[(1-methylpiperidin-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61222918
1-[(3-ethylcyclohexyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 64743536
1-[(1-ethylpiperidin-3-yl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 61478315
(2S)-4-hydroxy-1-[(2-hydroxycyclohexyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 62358912
(2S,4R)-4-hydroxy-1-[(3-methylsulfanylcyclopentyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 114124049
(2R,4R)-1-[(1-cyclopropylpyrrolidin-3-yl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 79000138
1-[(3,3-dimethylcyclopentyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 113364557
(2S,4S)-1-[(2,2-dimethylcyclopentyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 79878536
(2S,4S)-4-hydroxy-1-(thiolan-2-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 80586456

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-4-hydroxy-1-(thian-3-ylcarbamoyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R,4R)-4-hydroxy-1-(thian-3-ylcarbamoyl)pyrrolidine-2-carboxylic acid (CID 104870656) is (2R,4R)-4-hydroxy-1-(thian-3-ylcarbamoyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R,4R)-4-hydroxy-1-(thian-3-ylcarbamoyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R,4R)-4-hydroxy-1-(thian-3-ylcarbamoyl)pyrrolidine-2-carboxylic acid is O=C(O)[C@H]1C[C@@H](O)CN1C(=O)NC1CCCSC1.
What is the InChIKey of (2R,4R)-4-hydroxy-1-(thian-3-ylcarbamoyl)pyrrolidine-2-carboxylic acid?
The InChIKey is NFADOGRJKXQNNR-CFCGPWAMSA-N. The full InChI is InChI=1S/C11H18N2O4S/c14-8-4-9(10(15)16)13(5-8)11(17)12-7-2-1-3-18-6-7/h7-9,14H,1-6H2,(H,12,17)(H,15,16)/t7?,8-,9-/m1/s1.
What are the key properties of (2R,4R)-4-hydroxy-1-(thian-3-ylcarbamoyl)pyrrolidine-2-carboxylic acid?
(2R,4R)-4-hydroxy-1-(thian-3-ylcarbamoyl)pyrrolidine-2-carboxylic acid has a molecular weight of 274.34 g/mol, XLogP of 0.11, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-4-hydroxy-1-(thian-3-ylcarbamoyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 104870656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).