1-(2-methylsulfanylethyl)-5-oxopyrrolidine-3-carboxylic acid

C8H13NO3S — CID 63983679

IUPAC1-(2-methylsulfanylethyl)-5-oxopyrrolidine-3-carboxylic acid
SMILESCSCCN1CC(C(=O)O)CC1=O
InChIInChI=1S/C8H13NO3S/c1-13-3-2-9-5-6(8(11)12)4-7(9)10/h6H,2-5H2,1H3,(H,11,12)
InChIKeyLMMOKGOXVLQECU-UHFFFAOYSA-N
MW203.26 g/mol
LogP0.28
Rot. Bonds4

About 1-(2-methylsulfanylethyl)-5-oxopyrrolidine-3-carboxylic acid

1-(2-methylsulfanylethyl)-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 63983679) has the molecular formula C8H13NO3S and a molecular weight of 203.26 g/mol. Its IUPAC name is 1-(2-methylsulfanylethyl)-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-methylsulfanylethyl)-5-oxopyrrolidine-3-carboxylic acid
PubChem CID63983679
Molecular FormulaC8H13NO3S
Molecular Weight203.26 g/mol
Exact Mass203.06
IUPAC Name1-(2-methylsulfanylethyl)-5-oxopyrrolidine-3-carboxylic acid
SMILESCSCCN1CC(C(=O)O)CC1=O
InChIInChI=1S/C8H13NO3S/c1-13-3-2-9-5-6(8(11)12)4-7(9)10/h6H,2-5H2,1H3,(H,11,12)
InChIKeyLMMOKGOXVLQECU-UHFFFAOYSA-N
XLogP0.28
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.26
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-5-oxo-1-propylpyrrolidine-3-carboxylic acid
CID 7583712
1-(2-fluoroethyl)-5-oxopyrrolidine-3-carboxylic acid
CID 83193064
1-(2-aminoethyl)-5-oxopyrrolidine-3-carboxylic acid
CID 71757801
(3R)-1-hexyl-5-oxopyrrolidine-3-carboxylic acid
CID 7144531
1-decyl-5-oxopyrrolidine-3-carboxylic acid
CID 3023563
1-[2-(methylamino)ethyl]-5-oxopyrrolidine-3-carboxylic acid
CID 82512183
1-(3-hydroxy-3-methylbutyl)-5-oxopyrrolidine-3-carboxylic acid
CID 83192927
(3R)-1-(3-aminopropyl)-5-oxopyrrolidine-3-carboxylic acid
CID 92755218
(3R)-1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxylic acid
CID 735293
1-(2-acetamidoethyl)-5-oxopyrrolidine-3-carboxylic acid
CID 43552674
5-oxo-1-(2-sulfoethyl)pyrrolidine-3-carboxylic acid
CID 83295024
(3R)-5-oxo-1-(2-piperidin-1-ylethyl)pyrrolidine-3-carboxylic acid
CID 29136485

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylsulfanylethyl)-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(2-methylsulfanylethyl)-5-oxopyrrolidine-3-carboxylic acid (CID 63983679) is 1-(2-methylsulfanylethyl)-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-methylsulfanylethyl)-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(2-methylsulfanylethyl)-5-oxopyrrolidine-3-carboxylic acid is CSCCN1CC(C(=O)O)CC1=O.
What is the InChIKey of 1-(2-methylsulfanylethyl)-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is LMMOKGOXVLQECU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3S/c1-13-3-2-9-5-6(8(11)12)4-7(9)10/h6H,2-5H2,1H3,(H,11,12).
What are the key properties of 1-(2-methylsulfanylethyl)-5-oxopyrrolidine-3-carboxylic acid?
1-(2-methylsulfanylethyl)-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 203.26 g/mol, XLogP of 0.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylsulfanylethyl)-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63983679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).