1-(1,1-dioxothiolane-3-carbonyl)pyrrolidine-2-carboxylic acid

C10H15NO5S — CID 43355636

IUPAC1-(1,1-dioxothiolane-3-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H15NO5S/c12-9(7-3-5-17(15,16)6-7)11-4-1-2-8(11)10(13)14/h7-8H,1-6H2,(H,13,14)
InChIKeyKPTLCBPYQGBSIB-UHFFFAOYSA-N
MW261.30 g/mol
LogP-0.50
Rot. Bonds2

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

1-(1,1-dioxothiolane-3-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 43355636) has the molecular formula C10H15NO5S and a molecular weight of 261.30 g/mol. Its IUPAC name is 1-(1,1-dioxothiolane-3-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(1,1-dioxothiolane-3-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID43355636
Molecular FormulaC10H15NO5S
Molecular Weight261.30 g/mol
Exact Mass261.07
IUPAC Name1-(1,1-dioxothiolane-3-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H15NO5S/c12-9(7-3-5-17(15,16)6-7)11-4-1-2-8(11)10(13)14/h7-8H,1-6H2,(H,13,14)
InChIKeyKPTLCBPYQGBSIB-UHFFFAOYSA-N
XLogP-0.50
TPSA91.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 5-0.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-(cyclopentanecarbonyl)pyrrolidine-2-carboxylic acid
CID 28820041
methyl 1-(1,1-dioxothiolane-3-carbonyl)pyrrolidine-2-carboxylate
CID 43410317
1-(cyclohexanecarbonyl)azocane-2-carboxylic acid
CID 114239738
(2S)-1-(cyclohexanecarbonyl)piperidine-2-carboxylic acid
CID 42083438
1-(cycloheptanecarbonyl)azepane-2-carboxylic acid
CID 64560695
1-(cyclohexanecarbonyl)azepane-2-carboxylic acid
CID 64559163
1-(cyclohept-4-ene-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 136558034
1-[2-(1,1-dioxothiolan-3-yl)acetyl]piperidine-2-carboxylic acid
CID 43649109
1-(1,1-dioxothiolane-3-carbonyl)-4-ethylpiperidine-2-carboxylic acid
CID 114427094
(4R)-3-(1,1-dioxothiolane-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 61143598
(2S)-1-(4-aminocyclohexanecarbonyl)piperidine-2-carboxylic acid
CID 66262956
(2R)-1-(4-aminocyclohexanecarbonyl)piperidine-2-carboxylic acid
CID 79034818

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxothiolane-3-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(1,1-dioxothiolane-3-carbonyl)pyrrolidine-2-carboxylic acid (CID 43355636) is 1-(1,1-dioxothiolane-3-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(1,1-dioxothiolane-3-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(1,1-dioxothiolane-3-carbonyl)pyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1C(=O)C1CCS(=O)(=O)C1.
What is the InChIKey of 1-(1,1-dioxothiolane-3-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is KPTLCBPYQGBSIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO5S/c12-9(7-3-5-17(15,16)6-7)11-4-1-2-8(11)10(13)14/h7-8H,1-6H2,(H,13,14).
What are the key properties of 1-(1,1-dioxothiolane-3-carbonyl)pyrrolidine-2-carboxylic acid?
1-(1,1-dioxothiolane-3-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 261.30 g/mol, XLogP of -0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxothiolane-3-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 43355636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).