(2-aminoacetyl)oxymethanesulfonic acid

C3H7NO5S — CID 174908444

IUPAC(2-aminoacetyl)oxymethanesulfonic acid
SMILESNCC(=O)OCS(=O)(=O)O
InChIInChI=1S/C3H7NO5S/c4-1-3(5)9-2-10(6,7)8/h1-2,4H2,(H,6,7,8)
InChIKeyFEPBTXJHDVDMTA-UHFFFAOYSA-N
MW169.16 g/mol
LogP-1.67
Rot. Bonds3

About (2-aminoacetyl)oxymethanesulfonic acid

(2-aminoacetyl)oxymethanesulfonic acid (PubChem CID 174908444) has the molecular formula C3H7NO5S and a molecular weight of 169.16 g/mol. Its IUPAC name is (2-aminoacetyl)oxymethanesulfonic acid.

Molecular Properties

Compound Name(2-aminoacetyl)oxymethanesulfonic acid
PubChem CID174908444
Molecular FormulaC3H7NO5S
Molecular Weight169.16 g/mol
Exact Mass169.00
IUPAC Name(2-aminoacetyl)oxymethanesulfonic acid
SMILESNCC(=O)OCS(=O)(=O)O
InChIInChI=1S/C3H7NO5S/c4-1-3(5)9-2-10(6,7)8/h1-2,4H2,(H,6,7,8)
InChIKeyFEPBTXJHDVDMTA-UHFFFAOYSA-N
XLogP-1.67
TPSA106.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.16
LogP ≤ 5-1.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-aminoacetyl)oxymethanesulfonic acid?
The IUPAC name of (2-aminoacetyl)oxymethanesulfonic acid (CID 174908444) is (2-aminoacetyl)oxymethanesulfonic acid.
What is the SMILES notation for (2-aminoacetyl)oxymethanesulfonic acid?
The canonical SMILES for (2-aminoacetyl)oxymethanesulfonic acid is NCC(=O)OCS(=O)(=O)O.
What is the InChIKey of (2-aminoacetyl)oxymethanesulfonic acid?
The InChIKey is FEPBTXJHDVDMTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO5S/c4-1-3(5)9-2-10(6,7)8/h1-2,4H2,(H,6,7,8).
What are the key properties of (2-aminoacetyl)oxymethanesulfonic acid?
(2-aminoacetyl)oxymethanesulfonic acid has a molecular weight of 169.16 g/mol, XLogP of -1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminoacetyl)oxymethanesulfonic acid is sourced from PubChem (CID 174908444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).