2-[(1,1-dioxothiolan-3-yl)amino]propanoic acid

C7H13NO4S — CID 2772238

IUPAC2-[(1,1-dioxothiolan-3-yl)amino]propanoic acid
SMILESCC(NC1CCS(=O)(=O)C1)C(=O)O
InChIInChI=1S/C7H13NO4S/c1-5(7(9)10)8-6-2-3-13(11,12)4-6/h5-6,8H,2-4H2,1H3,(H,9,10)
InChIKeyRIBCAVCPRSRWDL-UHFFFAOYSA-N
MW207.25 g/mol
LogP-0.76
Rot. Bonds3

About 2-[(1,1-dioxothiolan-3-yl)amino]propanoic acid

2-[(1,1-dioxothiolan-3-yl)amino]propanoic acid (PubChem CID 2772238) has the molecular formula C7H13NO4S and a molecular weight of 207.25 g/mol. Its IUPAC name is 2-[(1,1-dioxothiolan-3-yl)amino]propanoic acid.

Molecular Properties

Compound Name2-[(1,1-dioxothiolan-3-yl)amino]propanoic acid
PubChem CID2772238
Molecular FormulaC7H13NO4S
Molecular Weight207.25 g/mol
Exact Mass207.06
IUPAC Name2-[(1,1-dioxothiolan-3-yl)amino]propanoic acid
SMILESCC(NC1CCS(=O)(=O)C1)C(=O)O
InChIInChI=1S/C7H13NO4S/c1-5(7(9)10)8-6-2-3-13(11,12)4-6/h5-6,8H,2-4H2,1H3,(H,9,10)
InChIKeyRIBCAVCPRSRWDL-UHFFFAOYSA-N
XLogP-0.76
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(1,1-dioxothiolan-3-yl)amino]propanoic acid?
The IUPAC name of 2-[(1,1-dioxothiolan-3-yl)amino]propanoic acid (CID 2772238) is 2-[(1,1-dioxothiolan-3-yl)amino]propanoic acid.
What is the SMILES notation for 2-[(1,1-dioxothiolan-3-yl)amino]propanoic acid?
The canonical SMILES for 2-[(1,1-dioxothiolan-3-yl)amino]propanoic acid is CC(NC1CCS(=O)(=O)C1)C(=O)O.
What is the InChIKey of 2-[(1,1-dioxothiolan-3-yl)amino]propanoic acid?
The InChIKey is RIBCAVCPRSRWDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO4S/c1-5(7(9)10)8-6-2-3-13(11,12)4-6/h5-6,8H,2-4H2,1H3,(H,9,10).
What are the key properties of 2-[(1,1-dioxothiolan-3-yl)amino]propanoic acid?
2-[(1,1-dioxothiolan-3-yl)amino]propanoic acid has a molecular weight of 207.25 g/mol, XLogP of -0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,1-dioxothiolan-3-yl)amino]propanoic acid is sourced from PubChem (CID 2772238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).