3-amino-N-hydroxy-2-oxopropanamide

C3H6N2O3 — CID 139996893

IUPAC3-amino-N-hydroxy-2-oxopropanamide
SMILESNCC(=O)C(=O)NO
InChIInChI=1S/C3H6N2O3/c4-1-2(6)3(7)5-8/h8H,1,4H2,(H,5,7)
InChIKeyIFHIJMUOTHHHOF-UHFFFAOYSA-N
MW118.09 g/mol
LogP-1.98
Rot. Bonds2

About 3-amino-N-hydroxy-2-oxopropanamide

3-amino-N-hydroxy-2-oxopropanamide (PubChem CID 139996893) has the molecular formula C3H6N2O3 and a molecular weight of 118.09 g/mol. Its IUPAC name is 3-amino-N-hydroxy-2-oxopropanamide.

Molecular Properties

Compound Name3-amino-N-hydroxy-2-oxopropanamide
PubChem CID139996893
Molecular FormulaC3H6N2O3
Molecular Weight118.09 g/mol
Exact Mass118.04
IUPAC Name3-amino-N-hydroxy-2-oxopropanamide
SMILESNCC(=O)C(=O)NO
InChIInChI=1S/C3H6N2O3/c4-1-2(6)3(7)5-8/h8H,1,4H2,(H,5,7)
InChIKeyIFHIJMUOTHHHOF-UHFFFAOYSA-N
XLogP-1.98
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.09
LogP ≤ 5-1.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-hydroxy-2-oxopropanamide?
The IUPAC name of 3-amino-N-hydroxy-2-oxopropanamide (CID 139996893) is 3-amino-N-hydroxy-2-oxopropanamide.
What is the SMILES notation for 3-amino-N-hydroxy-2-oxopropanamide?
The canonical SMILES for 3-amino-N-hydroxy-2-oxopropanamide is NCC(=O)C(=O)NO.
What is the InChIKey of 3-amino-N-hydroxy-2-oxopropanamide?
The InChIKey is IFHIJMUOTHHHOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N2O3/c4-1-2(6)3(7)5-8/h8H,1,4H2,(H,5,7).
What are the key properties of 3-amino-N-hydroxy-2-oxopropanamide?
3-amino-N-hydroxy-2-oxopropanamide has a molecular weight of 118.09 g/mol, XLogP of -1.98, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-hydroxy-2-oxopropanamide is sourced from PubChem (CID 139996893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).