1-[methyl(thiolan-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid

C11H18N2O3S — CID 61199868

IUPAC1-[methyl(thiolan-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESCN(C(=O)N1CCCC1C(=O)O)C1CCSC1
InChIInChI=1S/C11H18N2O3S/c1-12(8-4-6-17-7-8)11(16)13-5-2-3-9(13)10(14)15/h8-9H,2-7H2,1H3,(H,14,15)
InChIKeyRITKTYSQGPZPFA-UHFFFAOYSA-N
MW258.34 g/mol
LogP1.09
Rot. Bonds2

About 1-[methyl(thiolan-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid

1-[methyl(thiolan-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid (PubChem CID 61199868) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is 1-[methyl(thiolan-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[methyl(thiolan-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid
PubChem CID61199868
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC Name1-[methyl(thiolan-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESCN(C(=O)N1CCCC1C(=O)O)C1CCSC1
InChIInChI=1S/C11H18N2O3S/c1-12(8-4-6-17-7-8)11(16)13-5-2-3-9(13)10(14)15/h8-9H,2-7H2,1H3,(H,14,15)
InChIKeyRITKTYSQGPZPFA-UHFFFAOYSA-N
XLogP1.09
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[methyl(thiolan-3-yl)carbamoyl]thiomorpholine-3-carboxylic acid
CID 82904711
(2R)-1-[methyl-(3-methylcyclohexyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 78922898
4-[(4,4-dimethylcyclohexyl)-methylcarbamoyl]thiomorpholine-3-carboxylic acid
CID 82905731
N,3-dimethyl-N-(thiolan-3-yl)piperidine-1-carboxamide
CID 116654225
1-[methyl-(2-methylcyclohexyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 55004724
1-[1-cyclopropylethyl(methyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61202504
(4R)-3-[cyclobutyl(methyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 104873601
1-[(1,1-dioxothiolan-3-yl)-methylcarbamoyl]piperidine-2-carboxylic acid
CID 61205598
5-[methyl(thiolan-3-yl)carbamoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
CID 79342644
(2R)-1-[2-(dimethylamino)ethyl-methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 55226778
4-methyl-1-[methyl(thiolan-3-yl)carbamoyl]piperidine-4-carboxylic acid
CID 63123798
1-[methyl(2-methylpropyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61196249

Frequently Asked Questions

What is the IUPAC name of 1-[methyl(thiolan-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[methyl(thiolan-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid (CID 61199868) is 1-[methyl(thiolan-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[methyl(thiolan-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[methyl(thiolan-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid is CN(C(=O)N1CCCC1C(=O)O)C1CCSC1.
What is the InChIKey of 1-[methyl(thiolan-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is RITKTYSQGPZPFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S/c1-12(8-4-6-17-7-8)11(16)13-5-2-3-9(13)10(14)15/h8-9H,2-7H2,1H3,(H,14,15).
What are the key properties of 1-[methyl(thiolan-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid?
1-[methyl(thiolan-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 258.34 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl(thiolan-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 61199868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).