3-[carboxymethyl-(1,1-dioxothiolane-3-carbonyl)amino]propanoic acid

C10H15NO7S — CID 58925297

IUPAC3-[carboxymethyl-(1,1-dioxothiolane-3-carbonyl)amino]propanoic acid
SMILESO=C(O)CCN(CC(=O)O)C(=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H15NO7S/c12-8(13)1-3-11(5-9(14)15)10(16)7-2-4-19(17,18)6-7/h7H,1-6H2,(H,12,13)(H,14,15)
InChIKeyYZUNNRSZAPRPFX-UHFFFAOYSA-N
MW293.30 g/mol
LogP-1.19
Rot. Bonds6

About 3-[carboxymethyl-(1,1-dioxothiolane-3-carbonyl)amino]propanoic acid

3-[carboxymethyl-(1,1-dioxothiolane-3-carbonyl)amino]propanoic acid (PubChem CID 58925297) has the molecular formula C10H15NO7S and a molecular weight of 293.30 g/mol. Its IUPAC name is 3-[carboxymethyl-(1,1-dioxothiolane-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[carboxymethyl-(1,1-dioxothiolane-3-carbonyl)amino]propanoic acid
PubChem CID58925297
Molecular FormulaC10H15NO7S
Molecular Weight293.30 g/mol
Exact Mass293.06
IUPAC Name3-[carboxymethyl-(1,1-dioxothiolane-3-carbonyl)amino]propanoic acid
SMILESO=C(O)CCN(CC(=O)O)C(=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H15NO7S/c12-8(13)1-3-11(5-9(14)15)10(16)7-2-4-19(17,18)6-7/h7H,1-6H2,(H,12,13)(H,14,15)
InChIKeyYZUNNRSZAPRPFX-UHFFFAOYSA-N
XLogP-1.19
TPSA129.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 5-1.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[carboxymethyl-(1,1-dioxothiolane-3-carbonyl)amino]propanoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[carboxymethyl-(1,1-dioxothiolane-3-carbonyl)amino]propanoic acid?
The IUPAC name of 3-[carboxymethyl-(1,1-dioxothiolane-3-carbonyl)amino]propanoic acid (CID 58925297) is 3-[carboxymethyl-(1,1-dioxothiolane-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[carboxymethyl-(1,1-dioxothiolane-3-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-[carboxymethyl-(1,1-dioxothiolane-3-carbonyl)amino]propanoic acid is O=C(O)CCN(CC(=O)O)C(=O)C1CCS(=O)(=O)C1.
What is the InChIKey of 3-[carboxymethyl-(1,1-dioxothiolane-3-carbonyl)amino]propanoic acid?
The InChIKey is YZUNNRSZAPRPFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO7S/c12-8(13)1-3-11(5-9(14)15)10(16)7-2-4-19(17,18)6-7/h7H,1-6H2,(H,12,13)(H,14,15).
What are the key properties of 3-[carboxymethyl-(1,1-dioxothiolane-3-carbonyl)amino]propanoic acid?
3-[carboxymethyl-(1,1-dioxothiolane-3-carbonyl)amino]propanoic acid has a molecular weight of 293.30 g/mol, XLogP of -1.19, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[carboxymethyl-(1,1-dioxothiolane-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 58925297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).