1-(1,3-thiazolidine-4-carbonyl)pyrrolidine-2-carboxylic acid

C9H14N2O3S — CID 61158601

IUPAC1-(1,3-thiazolidine-4-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(=O)C1CSCN1
InChIInChI=1S/C9H14N2O3S/c12-8(6-4-15-5-10-6)11-3-1-2-7(11)9(13)14/h6-7,10H,1-5H2,(H,13,14)
InChIKeyNDWNRKGHLCQCOJ-UHFFFAOYSA-N
MW230.29 g/mol
LogP-0.28
Rot. Bonds2

About 1-(1,3-thiazolidine-4-carbonyl)pyrrolidine-2-carboxylic acid

1-(1,3-thiazolidine-4-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 61158601) has the molecular formula C9H14N2O3S and a molecular weight of 230.29 g/mol. Its IUPAC name is 1-(1,3-thiazolidine-4-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(1,3-thiazolidine-4-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID61158601
Molecular FormulaC9H14N2O3S
Molecular Weight230.29 g/mol
Exact Mass230.07
IUPAC Name1-(1,3-thiazolidine-4-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(=O)C1CSCN1
InChIInChI=1S/C9H14N2O3S/c12-8(6-4-15-5-10-6)11-3-1-2-7(11)9(13)14/h6-7,10H,1-5H2,(H,13,14)
InChIKeyNDWNRKGHLCQCOJ-UHFFFAOYSA-N
XLogP-0.28
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-(1,3-thiazolidine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 78923109
methyl 1-(1,3-thiazolidine-4-carbonyl)pyrrolidine-2-carboxylate
CID 60939361
1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 61158797
(2R)-1-(piperidine-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 78923169
(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 102311837
acetic acid;(2S)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 175939790
(2S)-1-[(4R)-2-oxo-1,3-thiazolidine-4-carbonyl]pyrrolidine-2-carboxylic acid
CID 28789670
1-[(2S)-pyrrolidine-2-carbonyl]piperidine-2-carboxylic acid
CID 61158281
1-(pyrrolidine-2-carbonyl)piperidine-2-carboxylic acid
CID 61157904
(2R)-1-(4-methylpiperidine-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 103869598
(2S)-4-hydroxy-1-(1,3-thiazolidine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 61161928
1-(4-hydroxypyrrolidine-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 61156945

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-thiazolidine-4-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(1,3-thiazolidine-4-carbonyl)pyrrolidine-2-carboxylic acid (CID 61158601) is 1-(1,3-thiazolidine-4-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(1,3-thiazolidine-4-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(1,3-thiazolidine-4-carbonyl)pyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1C(=O)C1CSCN1.
What is the InChIKey of 1-(1,3-thiazolidine-4-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is NDWNRKGHLCQCOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3S/c12-8(6-4-15-5-10-6)11-3-1-2-7(11)9(13)14/h6-7,10H,1-5H2,(H,13,14).
What are the key properties of 1-(1,3-thiazolidine-4-carbonyl)pyrrolidine-2-carboxylic acid?
1-(1,3-thiazolidine-4-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 230.29 g/mol, XLogP of -0.28, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-thiazolidine-4-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 61158601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).