2-amino-2,2-dihydroxyacetaldehyde

C2H5NO3 — CID 100973789

IUPAC2-amino-2,2-dihydroxyacetaldehyde
SMILESNC(O)(O)C=O
InChIInChI=1S/C2H5NO3/c3-2(5,6)1-4/h1,5-6H,3H2
InChIKeyNYWCWCDOPGMAQZ-UHFFFAOYSA-N
MW91.07 g/mol
LogP-2.22
Rot. Bonds1

About 2-amino-2,2-dihydroxyacetaldehyde

2-amino-2,2-dihydroxyacetaldehyde (PubChem CID 100973789) has the molecular formula C2H5NO3 and a molecular weight of 91.07 g/mol. Its IUPAC name is 2-amino-2,2-dihydroxyacetaldehyde.

Molecular Properties

Compound Name2-amino-2,2-dihydroxyacetaldehyde
PubChem CID100973789
Molecular FormulaC2H5NO3
Molecular Weight91.07 g/mol
Exact Mass91.03
IUPAC Name2-amino-2,2-dihydroxyacetaldehyde
SMILESNC(O)(O)C=O
InChIInChI=1S/C2H5NO3/c3-2(5,6)1-4/h1,5-6H,3H2
InChIKeyNYWCWCDOPGMAQZ-UHFFFAOYSA-N
XLogP-2.22
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50091.07
LogP ≤ 5-2.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2,2-dihydroxyacetaldehyde?
The IUPAC name of 2-amino-2,2-dihydroxyacetaldehyde (CID 100973789) is 2-amino-2,2-dihydroxyacetaldehyde.
What is the SMILES notation for 2-amino-2,2-dihydroxyacetaldehyde?
The canonical SMILES for 2-amino-2,2-dihydroxyacetaldehyde is NC(O)(O)C=O.
What is the InChIKey of 2-amino-2,2-dihydroxyacetaldehyde?
The InChIKey is NYWCWCDOPGMAQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5NO3/c3-2(5,6)1-4/h1,5-6H,3H2.
What are the key properties of 2-amino-2,2-dihydroxyacetaldehyde?
2-amino-2,2-dihydroxyacetaldehyde has a molecular weight of 91.07 g/mol, XLogP of -2.22, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2,2-dihydroxyacetaldehyde is sourced from PubChem (CID 100973789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).