2-[2-oxo-2-(1-pyrrolidin-1-ylpropan-2-ylamino)ethyl]sulfanylacetic acid

C11H20N2O3S — CID 104569748

IUPAC2-[2-oxo-2-(1-pyrrolidin-1-ylpropan-2-ylamino)ethyl]sulfanylacetic acid
SMILESCC(CN1CCCC1)NC(=O)CSCC(=O)O
InChIInChI=1S/C11H20N2O3S/c1-9(6-13-4-2-3-5-13)12-10(14)7-17-8-11(15)16/h9H,2-8H2,1H3,(H,12,14)(H,15,16)
InChIKeyHIJMPCIFQDWSLD-UHFFFAOYSA-N
MW260.36 g/mol
LogP0.40
Rot. Bonds7

About 2-[2-oxo-2-(1-pyrrolidin-1-ylpropan-2-ylamino)ethyl]sulfanylacetic acid

2-[2-oxo-2-(1-pyrrolidin-1-ylpropan-2-ylamino)ethyl]sulfanylacetic acid (PubChem CID 104569748) has the molecular formula C11H20N2O3S and a molecular weight of 260.36 g/mol. Its IUPAC name is 2-[2-oxo-2-(1-pyrrolidin-1-ylpropan-2-ylamino)ethyl]sulfanylacetic acid.

Molecular Properties

Compound Name2-[2-oxo-2-(1-pyrrolidin-1-ylpropan-2-ylamino)ethyl]sulfanylacetic acid
PubChem CID104569748
Molecular FormulaC11H20N2O3S
Molecular Weight260.36 g/mol
Exact Mass260.12
IUPAC Name2-[2-oxo-2-(1-pyrrolidin-1-ylpropan-2-ylamino)ethyl]sulfanylacetic acid
SMILESCC(CN1CCCC1)NC(=O)CSCC(=O)O
InChIInChI=1S/C11H20N2O3S/c1-9(6-13-4-2-3-5-13)12-10(14)7-17-8-11(15)16/h9H,2-8H2,1H3,(H,12,14)(H,15,16)
InChIKeyHIJMPCIFQDWSLD-UHFFFAOYSA-N
XLogP0.40
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[2-oxo-2-(1-pyrrolidin-1-ylpropan-2-ylamino)ethyl]sulfanylacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-ethylsulfanyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl)acetamide
CID 13048739
N-(N-Acetyl-S-ethyl-L-cysteinyl)pyrrolidine
CID 13048740
(2R)-2-[[[(2S)-1-(carboxymethylsulfanyl)-4-methylpentan-2-yl]amino]methyl]pyrrolidine-1-carboxylic acid
CID 57178931
(2R)-2-[[[(2S)-1-(2-amino-2-oxoethyl)sulfanyl-4-methylpentan-2-yl]amino]methyl]pyrrolidine-1-carboxylic acid
CID 57308203
2-propan-2-ylsulfanyl-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 57742624
3-(2-Aminobutanoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63791464
(2S)-2-[[[(2S)-1-(carboxymethylsulfanyl)-4-methylpentan-2-yl]amino]methyl]pyrrolidine-1-carboxylic acid
CID 70469080
(2S)-2-[[[(2S)-1-(2-amino-2-oxoethyl)sulfanyl-4-methylpentan-2-yl]amino]methyl]pyrrolidine-1-carboxylic acid
CID 70469184
2-[[[1-(2-Amino-2-oxoethyl)sulfanyl-4-methylpentan-2-yl]amino]methyl]pyrrolidine-1-carboxylic acid
CID 70469185
2-[2-[2-[(4S)-4-methyl-2-oxopyrrolidin-1-yl]ethylamino]-2-oxoethyl]sulfanylacetic acid
CID 139512135
2-[2-[2-[(3S)-3-methyl-2-oxopyrrolidin-1-yl]ethylamino]-2-oxoethyl]sulfanylacetic acid
CID 139512274
2-[2-Oxo-2-[2-(2-oxopyrrolidin-1-yl)ethylamino]ethyl]sulfanylacetic acid
CID 139516781

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-2-(1-pyrrolidin-1-ylpropan-2-ylamino)ethyl]sulfanylacetic acid?
The IUPAC name of 2-[2-oxo-2-(1-pyrrolidin-1-ylpropan-2-ylamino)ethyl]sulfanylacetic acid (CID 104569748) is 2-[2-oxo-2-(1-pyrrolidin-1-ylpropan-2-ylamino)ethyl]sulfanylacetic acid.
What is the SMILES notation for 2-[2-oxo-2-(1-pyrrolidin-1-ylpropan-2-ylamino)ethyl]sulfanylacetic acid?
The canonical SMILES for 2-[2-oxo-2-(1-pyrrolidin-1-ylpropan-2-ylamino)ethyl]sulfanylacetic acid is CC(CN1CCCC1)NC(=O)CSCC(=O)O.
What is the InChIKey of 2-[2-oxo-2-(1-pyrrolidin-1-ylpropan-2-ylamino)ethyl]sulfanylacetic acid?
The InChIKey is HIJMPCIFQDWSLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3S/c1-9(6-13-4-2-3-5-13)12-10(14)7-17-8-11(15)16/h9H,2-8H2,1H3,(H,12,14)(H,15,16).
What are the key properties of 2-[2-oxo-2-(1-pyrrolidin-1-ylpropan-2-ylamino)ethyl]sulfanylacetic acid?
2-[2-oxo-2-(1-pyrrolidin-1-ylpropan-2-ylamino)ethyl]sulfanylacetic acid has a molecular weight of 260.36 g/mol, XLogP of 0.40, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-2-(1-pyrrolidin-1-ylpropan-2-ylamino)ethyl]sulfanylacetic acid is sourced from PubChem (CID 104569748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).