4-hydroxy-1-(thiomorpholine-3-carbonyl)pyrrolidine-2-carboxylic acid

C10H16N2O4S — CID 82908311

IUPAC4-hydroxy-1-(thiomorpholine-3-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CC(O)CN1C(=O)C1CSCCN1
InChIInChI=1S/C10H16N2O4S/c13-6-3-8(10(15)16)12(4-6)9(14)7-5-17-2-1-11-7/h6-8,11,13H,1-5H2,(H,15,16)
InChIKeyFHXMJDPAECISSF-UHFFFAOYSA-N
MW260.31 g/mol
LogP-1.26
Rot. Bonds2

About 4-hydroxy-1-(thiomorpholine-3-carbonyl)pyrrolidine-2-carboxylic acid

4-hydroxy-1-(thiomorpholine-3-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 82908311) has the molecular formula C10H16N2O4S and a molecular weight of 260.31 g/mol. Its IUPAC name is 4-hydroxy-1-(thiomorpholine-3-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1-(thiomorpholine-3-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID82908311
Molecular FormulaC10H16N2O4S
Molecular Weight260.31 g/mol
Exact Mass260.08
IUPAC Name4-hydroxy-1-(thiomorpholine-3-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CC(O)CN1C(=O)C1CSCCN1
InChIInChI=1S/C10H16N2O4S/c13-6-3-8(10(15)16)12(4-6)9(14)7-5-17-2-1-11-7/h6-8,11,13H,1-5H2,(H,15,16)
InChIKeyFHXMJDPAECISSF-UHFFFAOYSA-N
XLogP-1.26
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 5-1.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-4-hydroxy-1-(1,3-thiazolidine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 61161928
(2S,4R)-4-hydroxy-1-(piperidine-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 63844034
(2S,4R)-4-hydroxy-1-(piperidine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 63843186
(2S,4S)-4-hydroxy-1-(4-methoxypyrrolidine-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 64714436
(2S,4S)-1-(cyclobutanecarbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 30046185
1-(cyclobutanecarbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 16775594
(2S,4S)-4-hydroxy-1-[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]pyrrolidine-2-carboxylic acid
CID 64714435
(2R,4R)-1-(3-amino-3-methylbutanoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 79000057
(2S)-4-hydroxy-1-(thiane-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 80593854
(2,5-dimethylpiperidin-1-yl)-thiomorpholin-3-ylmethanone
CID 82917114
(2S,4R)-1-(cycloheptanecarbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 55262089
(2R,4R)-4-hydroxy-1-(thian-3-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 104870656

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(thiomorpholine-3-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 4-hydroxy-1-(thiomorpholine-3-carbonyl)pyrrolidine-2-carboxylic acid (CID 82908311) is 4-hydroxy-1-(thiomorpholine-3-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 4-hydroxy-1-(thiomorpholine-3-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 4-hydroxy-1-(thiomorpholine-3-carbonyl)pyrrolidine-2-carboxylic acid is O=C(O)C1CC(O)CN1C(=O)C1CSCCN1.
What is the InChIKey of 4-hydroxy-1-(thiomorpholine-3-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is FHXMJDPAECISSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4S/c13-6-3-8(10(15)16)12(4-6)9(14)7-5-17-2-1-11-7/h6-8,11,13H,1-5H2,(H,15,16).
What are the key properties of 4-hydroxy-1-(thiomorpholine-3-carbonyl)pyrrolidine-2-carboxylic acid?
4-hydroxy-1-(thiomorpholine-3-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 260.31 g/mol, XLogP of -1.26, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(thiomorpholine-3-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 82908311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).