(2R)-1-(thiolan-3-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid

C11H18N2O3S — CID 107297606

IUPAC(2R)-1-(thiolan-3-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1C(=O)NCC1CCSC1
InChIInChI=1S/C11H18N2O3S/c14-10(15)9-2-1-4-13(9)11(16)12-6-8-3-5-17-7-8/h8-9H,1-7H2,(H,12,16)(H,14,15)/t8?,9-/m1/s1
InChIKeyLMICDKLFIAPPLC-YGPZHTELSA-N
MW258.34 g/mol
LogP1.00
Rot. Bonds3

About (2R)-1-(thiolan-3-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid

(2R)-1-(thiolan-3-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid (PubChem CID 107297606) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is (2R)-1-(thiolan-3-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-(thiolan-3-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid
PubChem CID107297606
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC Name(2R)-1-(thiolan-3-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1C(=O)NCC1CCSC1
InChIInChI=1S/C11H18N2O3S/c14-10(15)9-2-1-4-13(9)11(16)12-6-8-3-5-17-7-8/h8-9H,1-7H2,(H,12,16)(H,14,15)/t8?,9-/m1/s1
InChIKeyLMICDKLFIAPPLC-YGPZHTELSA-N
XLogP1.00
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(thiolan-3-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-(thiolan-3-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid (CID 107297606) is (2R)-1-(thiolan-3-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-(thiolan-3-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-(thiolan-3-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid is O=C(O)[C@H]1CCCN1C(=O)NCC1CCSC1.
What is the InChIKey of (2R)-1-(thiolan-3-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid?
The InChIKey is LMICDKLFIAPPLC-YGPZHTELSA-N. The full InChI is InChI=1S/C11H18N2O3S/c14-10(15)9-2-1-4-13(9)11(16)12-6-8-3-5-17-7-8/h8-9H,1-7H2,(H,12,16)(H,14,15)/t8?,9-/m1/s1.
What are the key properties of (2R)-1-(thiolan-3-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid?
(2R)-1-(thiolan-3-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid has a molecular weight of 258.34 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(thiolan-3-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 107297606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).