2-(4-amino-2-oxopyrrolidin-1-yl)ethanesulfonic acid

C6H12N2O4S — CID 168700166

IUPAC2-(4-amino-2-oxopyrrolidin-1-yl)ethanesulfonic acid
SMILESNC1CC(=O)N(CCS(=O)(=O)O)C1
InChIInChI=1S/C6H12N2O4S/c7-5-3-6(9)8(4-5)1-2-13(10,11)12/h5H,1-4,7H2,(H,10,11,12)
InChIKeyDYXUIVDNCFWKLP-UHFFFAOYSA-N
MW208.24 g/mol
LogP-1.57
Rot. Bonds3

About 2-(4-amino-2-oxopyrrolidin-1-yl)ethanesulfonic acid

2-(4-amino-2-oxopyrrolidin-1-yl)ethanesulfonic acid (PubChem CID 168700166) has the molecular formula C6H12N2O4S and a molecular weight of 208.24 g/mol. Its IUPAC name is 2-(4-amino-2-oxopyrrolidin-1-yl)ethanesulfonic acid.

Molecular Properties

Compound Name2-(4-amino-2-oxopyrrolidin-1-yl)ethanesulfonic acid
PubChem CID168700166
Molecular FormulaC6H12N2O4S
Molecular Weight208.24 g/mol
Exact Mass208.05
IUPAC Name2-(4-amino-2-oxopyrrolidin-1-yl)ethanesulfonic acid
SMILESNC1CC(=O)N(CCS(=O)(=O)O)C1
InChIInChI=1S/C6H12N2O4S/c7-5-3-6(9)8(4-5)1-2-13(10,11)12/h5H,1-4,7H2,(H,10,11,12)
InChIKeyDYXUIVDNCFWKLP-UHFFFAOYSA-N
XLogP-1.57
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 5-1.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

2-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]ethanesulfonic acid
CID 168504951
5-oxo-1-(2-sulfoethyl)pyrrolidine-3-carboxylic acid
CID 83295024
5-(4-amino-2-oxopyrrolidin-1-yl)pentanoic acid
CID 168700114
4-amino-1-(7-aminoheptyl)pyrrolidin-2-one
CID 168700119
4-amino-1-[2-(dimethylamino)ethyl]pyrrolidin-2-one;dihydrochloride
CID 82021991
5-oxo-1-(3-sulfopropyl)pyrrolidine-3-carboxylic acid
CID 168691341
tert-butyl N-[3-(4-amino-2-oxopyrrolidin-1-yl)propyl]carbamate
CID 168699074
4-amino-1-(3-hydroxy-3-phenylpropyl)pyrrolidin-2-one
CID 168698960
4-amino-1-(2,2-dimethoxyethyl)pyrrolidin-2-one
CID 168699407
[1-(3-hydroxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681907
4-amino-1-[3-(dipropylamino)propyl]pyrrolidin-2-one
CID 168699218
4-amino-1-[2-(2,5-dichlorophenyl)ethyl]pyrrolidin-2-one
CID 168700170

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-oxopyrrolidin-1-yl)ethanesulfonic acid?
The IUPAC name of 2-(4-amino-2-oxopyrrolidin-1-yl)ethanesulfonic acid (CID 168700166) is 2-(4-amino-2-oxopyrrolidin-1-yl)ethanesulfonic acid.
What is the SMILES notation for 2-(4-amino-2-oxopyrrolidin-1-yl)ethanesulfonic acid?
The canonical SMILES for 2-(4-amino-2-oxopyrrolidin-1-yl)ethanesulfonic acid is NC1CC(=O)N(CCS(=O)(=O)O)C1.
What is the InChIKey of 2-(4-amino-2-oxopyrrolidin-1-yl)ethanesulfonic acid?
The InChIKey is DYXUIVDNCFWKLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O4S/c7-5-3-6(9)8(4-5)1-2-13(10,11)12/h5H,1-4,7H2,(H,10,11,12).
What are the key properties of 2-(4-amino-2-oxopyrrolidin-1-yl)ethanesulfonic acid?
2-(4-amino-2-oxopyrrolidin-1-yl)ethanesulfonic acid has a molecular weight of 208.24 g/mol, XLogP of -1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-oxopyrrolidin-1-yl)ethanesulfonic acid is sourced from PubChem (CID 168700166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).