3-amino-1-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid

C11H19N3O5S — CID 107324786

IUPAC3-amino-1-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
SMILESNC1(C(=O)O)CCN(CC(=O)NC2CCS(=O)(=O)C2)C1
InChIInChI=1S/C11H19N3O5S/c12-11(10(16)17)2-3-14(7-11)5-9(15)13-8-1-4-20(18,19)6-8/h8H,1-7,12H2,(H,13,15)(H,16,17)
InChIKeyABLYBXGQCNSZQO-UHFFFAOYSA-N
MW305.36 g/mol
LogP-2.22
Rot. Bonds4

About 3-amino-1-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid

3-amino-1-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid (PubChem CID 107324786) has the molecular formula C11H19N3O5S and a molecular weight of 305.36 g/mol. Its IUPAC name is 3-amino-1-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-amino-1-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
PubChem CID107324786
Molecular FormulaC11H19N3O5S
Molecular Weight305.36 g/mol
Exact Mass305.10
IUPAC Name3-amino-1-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
SMILESNC1(C(=O)O)CCN(CC(=O)NC2CCS(=O)(=O)C2)C1
InChIInChI=1S/C11H19N3O5S/c12-11(10(16)17)2-3-14(7-11)5-9(15)13-8-1-4-20(18,19)6-8/h8H,1-7,12H2,(H,13,15)(H,16,17)
InChIKeyABLYBXGQCNSZQO-UHFFFAOYSA-N
XLogP-2.22
TPSA129.80 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 5-2.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-amino-1-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid with MolForge

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Related Compounds

3-amino-1-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 107324715
2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 62061998
N-(1,1-dioxothiolan-3-yl)-2-(4-methylpiperidin-1-yl)acetamide
CID 51170868
N-(1,1-dioxothiolan-3-yl)-2-[(3S)-3-hydroxypiperidin-1-yl]acetamide
CID 107225582
N-(1,1-dioxothiolan-3-yl)-2-(3-formylpiperidin-1-yl)acetamide
CID 62656194
2-(4-benzylpiperazin-1-yl)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 30726667
2-[2-(1-aminoethyl)morpholin-4-yl]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 81490518
1-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 43441841
2-(4-benzoylpiperazin-1-yl)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 9223139
1-[(1,1-dioxothiolan-3-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 62095028
N-[(3S)-1,1-dioxothiolan-3-yl]-2-iodoacetamide
CID 9196310
N-(1,1-dioxothiolan-3-yl)-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 78942456

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-amino-1-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid (CID 107324786) is 3-amino-1-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-amino-1-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-amino-1-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid is NC1(C(=O)O)CCN(CC(=O)NC2CCS(=O)(=O)C2)C1.
What is the InChIKey of 3-amino-1-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid?
The InChIKey is ABLYBXGQCNSZQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O5S/c12-11(10(16)17)2-3-14(7-11)5-9(15)13-8-1-4-20(18,19)6-8/h8H,1-7,12H2,(H,13,15)(H,16,17).
What are the key properties of 3-amino-1-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid?
3-amino-1-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid has a molecular weight of 305.36 g/mol, XLogP of -2.22, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 107324786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).