(2R)-1-[(1,1-dioxothiolan-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid

C10H16N2O5S — CID 78923190

IUPAC(2R)-1-[(1,1-dioxothiolan-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1C(=O)NC1CCS(=O)(=O)C1
InChIInChI=1S/C10H16N2O5S/c13-9(14)8-2-1-4-12(8)10(15)11-7-3-5-18(16,17)6-7/h7-8H,1-6H2,(H,11,15)(H,13,14)/t7?,8-/m1/s1
InChIKeyJHQIIJVWPNEMDC-BRFYHDHCSA-N
MW276.31 g/mol
LogP-0.57
Rot. Bonds2

About (2R)-1-[(1,1-dioxothiolan-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid

(2R)-1-[(1,1-dioxothiolan-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid (PubChem CID 78923190) has the molecular formula C10H16N2O5S and a molecular weight of 276.31 g/mol. Its IUPAC name is (2R)-1-[(1,1-dioxothiolan-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[(1,1-dioxothiolan-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid
PubChem CID78923190
Molecular FormulaC10H16N2O5S
Molecular Weight276.31 g/mol
Exact Mass276.08
IUPAC Name(2R)-1-[(1,1-dioxothiolan-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1C(=O)NC1CCS(=O)(=O)C1
InChIInChI=1S/C10H16N2O5S/c13-9(14)8-2-1-4-12(8)10(15)11-7-3-5-18(16,17)6-7/h7-8H,1-6H2,(H,11,15)(H,13,14)/t7?,8-/m1/s1
InChIKeyJHQIIJVWPNEMDC-BRFYHDHCSA-N
XLogP-0.57
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-[(1,1-dioxothian-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61201651
1-[(1,1-dioxothian-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61201455
(2R)-1-(cyclopentylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 78922982
(2R)-1-[(1-methylpiperidin-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 78922873
1-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 43441841
1-(cyclopropylcarbamoyl)piperidine-2-carboxylic acid
CID 61187930
(2S)-1-[(4-hydroxycyclohexyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61186326
(2S)-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 94798779
N-(1,1-dioxothiolan-3-yl)pyrrolidine-1-carboxamide
CID 47127958
(2R)-1-(cyclobutylcarbamoyl)piperidine-2-carboxylic acid
CID 94424057
1-(1,1-dioxothiolane-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 43355636
N-[(3S)-1,1-dioxothiolan-3-yl]azepane-1-carboxamide
CID 2424807

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(1,1-dioxothiolan-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[(1,1-dioxothiolan-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid (CID 78923190) is (2R)-1-[(1,1-dioxothiolan-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[(1,1-dioxothiolan-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[(1,1-dioxothiolan-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid is O=C(O)[C@H]1CCCN1C(=O)NC1CCS(=O)(=O)C1.
What is the InChIKey of (2R)-1-[(1,1-dioxothiolan-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is JHQIIJVWPNEMDC-BRFYHDHCSA-N. The full InChI is InChI=1S/C10H16N2O5S/c13-9(14)8-2-1-4-12(8)10(15)11-7-3-5-18(16,17)6-7/h7-8H,1-6H2,(H,11,15)(H,13,14)/t7?,8-/m1/s1.
What are the key properties of (2R)-1-[(1,1-dioxothiolan-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid?
(2R)-1-[(1,1-dioxothiolan-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 276.31 g/mol, XLogP of -0.57, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(1,1-dioxothiolan-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 78923190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).