1-[(1,1-dioxothiolan-3-yl)-methylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid

C11H18N2O6S — CID 61205229

IUPAC1-[(1,1-dioxothiolan-3-yl)-methylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
SMILESCN(C(=O)N1CC(O)CC1C(=O)O)C1CCS(=O)(=O)C1
InChIInChI=1S/C11H18N2O6S/c1-12(7-2-3-20(18,19)6-7)11(17)13-5-8(14)4-9(13)10(15)16/h7-9,14H,2-6H2,1H3,(H,15,16)
InChIKeyOIVSJJFRFPMYHO-UHFFFAOYSA-N
MW306.34 g/mol
LogP-1.25
Rot. Bonds2

About 1-[(1,1-dioxothiolan-3-yl)-methylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid

1-[(1,1-dioxothiolan-3-yl)-methylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 61205229) has the molecular formula C11H18N2O6S and a molecular weight of 306.34 g/mol. Its IUPAC name is 1-[(1,1-dioxothiolan-3-yl)-methylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(1,1-dioxothiolan-3-yl)-methylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID61205229
Molecular FormulaC11H18N2O6S
Molecular Weight306.34 g/mol
Exact Mass306.09
IUPAC Name1-[(1,1-dioxothiolan-3-yl)-methylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
SMILESCN(C(=O)N1CC(O)CC1C(=O)O)C1CCS(=O)(=O)C1
InChIInChI=1S/C11H18N2O6S/c1-12(7-2-3-20(18,19)6-7)11(17)13-5-8(14)4-9(13)10(15)16/h7-9,14H,2-6H2,1H3,(H,15,16)
InChIKeyOIVSJJFRFPMYHO-UHFFFAOYSA-N
XLogP-1.25
TPSA115.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 5-1.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(1,1-dioxothiolan-3-yl)-methylcarbamoyl]piperidine-2-carboxylic acid
CID 61205598
1-[cyclopentyl(ethyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 61209949
1,3-bis(1,1-dioxothiolan-3-yl)-1,3-dimethylurea
CID 108989373
(2R,4R)-4-hydroxy-1-(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 102885024
4-hydroxy-1-(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 102885046
2-[1-[(1,1-dioxothiolan-3-yl)-methylcarbamoyl]azetidin-3-yl]acetic acid
CID 64618623
(2S,4S)-4-hydroxy-1-[methyl(3-methylbutan-2-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 64713740
(2S,4R)-1-[cyclohexyl(ethyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 63841659
(2S,4S)-4-hydroxy-1-[methyl(2-methylpropyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 64713208
(2R,4R)-1-[butan-2-yl(methyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 78999436
N-(1,1-dioxothiolan-3-yl)-N,3-dimethylpiperidine-1-carboxamide
CID 108989402
(2S)-1-[cyclopentylmethyl(methyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 63657175

Frequently Asked Questions

What is the IUPAC name of 1-[(1,1-dioxothiolan-3-yl)-methylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[(1,1-dioxothiolan-3-yl)-methylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid (CID 61205229) is 1-[(1,1-dioxothiolan-3-yl)-methylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[(1,1-dioxothiolan-3-yl)-methylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[(1,1-dioxothiolan-3-yl)-methylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid is CN(C(=O)N1CC(O)CC1C(=O)O)C1CCS(=O)(=O)C1.
What is the InChIKey of 1-[(1,1-dioxothiolan-3-yl)-methylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is OIVSJJFRFPMYHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O6S/c1-12(7-2-3-20(18,19)6-7)11(17)13-5-8(14)4-9(13)10(15)16/h7-9,14H,2-6H2,1H3,(H,15,16).
What are the key properties of 1-[(1,1-dioxothiolan-3-yl)-methylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid?
1-[(1,1-dioxothiolan-3-yl)-methylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 306.34 g/mol, XLogP of -1.25, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,1-dioxothiolan-3-yl)-methylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 61205229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).