2-[2-oxo-2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]ethyl]sulfanylacetic acid

C10H16N2O4S — CID 115577333

IUPAC2-[2-oxo-2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]ethyl]sulfanylacetic acid
SMILESO=C(O)CSCC(=O)NCC(=O)N1CCCC1
InChIInChI=1S/C10H16N2O4S/c13-8(6-17-7-10(15)16)11-5-9(14)12-3-1-2-4-12/h1-7H2,(H,11,13)(H,15,16)
InChIKeyOSTJDSPOLPLTSS-UHFFFAOYSA-N
MW260.31 g/mol
LogP-0.46
Rot. Bonds6

About 2-[2-oxo-2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]ethyl]sulfanylacetic acid

2-[2-oxo-2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]ethyl]sulfanylacetic acid (PubChem CID 115577333) has the molecular formula C10H16N2O4S and a molecular weight of 260.31 g/mol. Its IUPAC name is 2-[2-oxo-2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]ethyl]sulfanylacetic acid.

Molecular Properties

Compound Name2-[2-oxo-2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]ethyl]sulfanylacetic acid
PubChem CID115577333
Molecular FormulaC10H16N2O4S
Molecular Weight260.31 g/mol
Exact Mass260.08
IUPAC Name2-[2-oxo-2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]ethyl]sulfanylacetic acid
SMILESO=C(O)CSCC(=O)NCC(=O)N1CCCC1
InChIInChI=1S/C10H16N2O4S/c13-8(6-17-7-10(15)16)11-5-9(14)12-3-1-2-4-12/h1-7H2,(H,11,13)(H,15,16)
InChIKeyOSTJDSPOLPLTSS-UHFFFAOYSA-N
XLogP-0.46
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-4-oxo-4-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]butanoic acid
CID 113405891
N-(2-oxo-2-pyrrolidin-1-ylethyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 113235197
2-[2-oxo-2-(2-piperidin-1-ylpropylamino)ethyl]sulfanylacetic acid
CID 104569665
2-[2-(2-methylprop-2-enylamino)-2-oxoethyl]sulfanylacetic acid
CID 114615305
N-[2-(azocan-1-yl)-2-oxoethyl]-3,3-dimethylbutanamide
CID 86828606
2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1-piperidin-1-ylethanone
CID 14367450
2-(4-bromophenyl)sulfanyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 51321713
N-(2-amino-2-methylpropyl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide;hydrochloride
CID 119630529
4-chloro-N-(2-oxo-2-piperidin-1-ylethyl)butanamide
CID 82109147
N-(2-oxo-2-piperidin-1-ylethyl)-2-(prop-2-ynylamino)acetamide
CID 113281833
3-amino-N-(2-oxo-2-piperidin-1-ylethyl)butanamide
CID 115738358
N-[2-(azepan-1-yl)-2-oxoethyl]pentanamide
CID 112995931

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]ethyl]sulfanylacetic acid?
The IUPAC name of 2-[2-oxo-2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]ethyl]sulfanylacetic acid (CID 115577333) is 2-[2-oxo-2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]ethyl]sulfanylacetic acid.
What is the SMILES notation for 2-[2-oxo-2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]ethyl]sulfanylacetic acid?
The canonical SMILES for 2-[2-oxo-2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]ethyl]sulfanylacetic acid is O=C(O)CSCC(=O)NCC(=O)N1CCCC1.
What is the InChIKey of 2-[2-oxo-2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]ethyl]sulfanylacetic acid?
The InChIKey is OSTJDSPOLPLTSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4S/c13-8(6-17-7-10(15)16)11-5-9(14)12-3-1-2-4-12/h1-7H2,(H,11,13)(H,15,16).
What are the key properties of 2-[2-oxo-2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]ethyl]sulfanylacetic acid?
2-[2-oxo-2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]ethyl]sulfanylacetic acid has a molecular weight of 260.31 g/mol, XLogP of -0.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]ethyl]sulfanylacetic acid is sourced from PubChem (CID 115577333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).