3-(hydroxyamino)propanoic acid

C3H7NO3 — CID 10129916

IUPAC3-(hydroxyamino)propanoic acid
SMILESO=C(O)CCNO
InChIInChI=1S/C3H7NO3/c5-3(6)1-2-4-7/h4,7H,1-2H2,(H,5,6)
InChIKeyFHDIEOHZERBGBK-UHFFFAOYSA-N
MW105.09 g/mol
LogP-0.56
Rot. Bonds3

About 3-(hydroxyamino)propanoic acid

3-(hydroxyamino)propanoic acid (PubChem CID 10129916) has the molecular formula C3H7NO3 and a molecular weight of 105.09 g/mol. Its IUPAC name is 3-(hydroxyamino)propanoic acid.

Molecular Properties

Compound Name3-(hydroxyamino)propanoic acid
PubChem CID10129916
Molecular FormulaC3H7NO3
Molecular Weight105.09 g/mol
Exact Mass105.04
IUPAC Name3-(hydroxyamino)propanoic acid
SMILESO=C(O)CCNO
InChIInChI=1S/C3H7NO3/c5-3(6)1-2-4-7/h4,7H,1-2H2,(H,5,6)
InChIKeyFHDIEOHZERBGBK-UHFFFAOYSA-N
XLogP-0.56
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.09
LogP ≤ 5-0.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(hydroxyamino)propanoic acid?
The IUPAC name of 3-(hydroxyamino)propanoic acid (CID 10129916) is 3-(hydroxyamino)propanoic acid.
What is the SMILES notation for 3-(hydroxyamino)propanoic acid?
The canonical SMILES for 3-(hydroxyamino)propanoic acid is O=C(O)CCNO.
What is the InChIKey of 3-(hydroxyamino)propanoic acid?
The InChIKey is FHDIEOHZERBGBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO3/c5-3(6)1-2-4-7/h4,7H,1-2H2,(H,5,6).
What are the key properties of 3-(hydroxyamino)propanoic acid?
3-(hydroxyamino)propanoic acid has a molecular weight of 105.09 g/mol, XLogP of -0.56, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxyamino)propanoic acid is sourced from PubChem (CID 10129916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).