3-amino-3-oxopropanoic acid;sulfuric acid

C3H7NO7S — CID 71430427

IUPAC3-amino-3-oxopropanoic acid;sulfuric acid
SMILESNC(=O)CC(=O)O.O=S(=O)(O)O
InChIInChI=1S/C3H5NO3.H2O4S/c4-2(5)1-3(6)7;1-5(2,3)4/h1H2,(H2,4,5)(H,6,7);(H2,1,2,3,4)
InChIKeyCUHBTBZRFUWVNF-UHFFFAOYSA-N
MW201.16 g/mol
LogP-1.71
Rot. Bonds2

About 3-amino-3-oxopropanoic acid;sulfuric acid

3-amino-3-oxopropanoic acid;sulfuric acid (PubChem CID 71430427) has the molecular formula C3H7NO7S and a molecular weight of 201.16 g/mol. Its IUPAC name is 3-amino-3-oxopropanoic acid;sulfuric acid.

Molecular Properties

Compound Name3-amino-3-oxopropanoic acid;sulfuric acid
PubChem CID71430427
Molecular FormulaC3H7NO7S
Molecular Weight201.16 g/mol
Exact Mass200.99
IUPAC Name3-amino-3-oxopropanoic acid;sulfuric acid
SMILESNC(=O)CC(=O)O.O=S(=O)(O)O
InChIInChI=1S/C3H5NO3.H2O4S/c4-2(5)1-3(6)7;1-5(2,3)4/h1H2,(H2,4,5)(H,6,7);(H2,1,2,3,4)
InChIKeyCUHBTBZRFUWVNF-UHFFFAOYSA-N
XLogP-1.71
TPSA154.99 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.16
LogP ≤ 5-1.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

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propanediamide
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alumane;sulfuric acid;urea
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Frequently Asked Questions

What is the IUPAC name of 3-amino-3-oxopropanoic acid;sulfuric acid?
The IUPAC name of 3-amino-3-oxopropanoic acid;sulfuric acid (CID 71430427) is 3-amino-3-oxopropanoic acid;sulfuric acid.
What is the SMILES notation for 3-amino-3-oxopropanoic acid;sulfuric acid?
The canonical SMILES for 3-amino-3-oxopropanoic acid;sulfuric acid is NC(=O)CC(=O)O.O=S(=O)(O)O.
What is the InChIKey of 3-amino-3-oxopropanoic acid;sulfuric acid?
The InChIKey is CUHBTBZRFUWVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5NO3.H2O4S/c4-2(5)1-3(6)7;1-5(2,3)4/h1H2,(H2,4,5)(H,6,7);(H2,1,2,3,4).
What are the key properties of 3-amino-3-oxopropanoic acid;sulfuric acid?
3-amino-3-oxopropanoic acid;sulfuric acid has a molecular weight of 201.16 g/mol, XLogP of -1.71, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-oxopropanoic acid;sulfuric acid is sourced from PubChem (CID 71430427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).