nitroso 2-hydroxypropanoate

C3H5NO4 — CID 123367826

IUPACnitroso 2-hydroxypropanoate
SMILESCC(O)C(=O)ON=O
InChIInChI=1S/C3H5NO4/c1-2(5)3(6)8-4-7/h2,5H,1H3
InChIKeyOJTMCMJMZYYPGY-UHFFFAOYSA-N
MW119.08 g/mol
LogP-0.41
Rot. Bonds2

About nitroso 2-hydroxypropanoate

nitroso 2-hydroxypropanoate (PubChem CID 123367826) has the molecular formula C3H5NO4 and a molecular weight of 119.08 g/mol. Its IUPAC name is nitroso 2-hydroxypropanoate.

Molecular Properties

Compound Namenitroso 2-hydroxypropanoate
PubChem CID123367826
Molecular FormulaC3H5NO4
Molecular Weight119.08 g/mol
Exact Mass119.02
IUPAC Namenitroso 2-hydroxypropanoate
SMILESCC(O)C(=O)ON=O
InChIInChI=1S/C3H5NO4/c1-2(5)3(6)8-4-7/h2,5H,1H3
InChIKeyOJTMCMJMZYYPGY-UHFFFAOYSA-N
XLogP-0.41
TPSA75.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.08
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

nitroso (2S,3S)-2-amino-3-methylpentanoate
CID 174956723
calcium;amino 2-hydroxypropanoate;hydride
CID 173433057
calcium;alumane;hydride;2-hydroxypropanoyl 2-hydroxypropanoate
CID 173336900
nitroso 2-methyldecanoate
CID 174579613
methyl (2R)-2-hydroxypropanoate;methyl (2S)-2-hydroxypropanoate
CID 76960533
calcium;hydride;phosphanyl 2-hydroxypropanoate
CID 174498775
calcium;carboxy 2-hydroxypropanoate;hydride
CID 174466571
methyl (2S)-2-hydroxypropanoate;hydrochloride
CID 88631623
methyl 2-hydroxypropanoate;hydrochloride
CID 87417627
methanol;methyl 2-hydroxypropanoate
CID 157321309
trimethylplumbyl 2-hydroxypropanoate
CID 16683262
nitroso 2-hydroxydecanoate
CID 175298804

Frequently Asked Questions

What is the IUPAC name of nitroso 2-hydroxypropanoate?
The IUPAC name of nitroso 2-hydroxypropanoate (CID 123367826) is nitroso 2-hydroxypropanoate.
What is the SMILES notation for nitroso 2-hydroxypropanoate?
The canonical SMILES for nitroso 2-hydroxypropanoate is CC(O)C(=O)ON=O.
What is the InChIKey of nitroso 2-hydroxypropanoate?
The InChIKey is OJTMCMJMZYYPGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5NO4/c1-2(5)3(6)8-4-7/h2,5H,1H3.
What are the key properties of nitroso 2-hydroxypropanoate?
nitroso 2-hydroxypropanoate has a molecular weight of 119.08 g/mol, XLogP of -0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for nitroso 2-hydroxypropanoate is sourced from PubChem (CID 123367826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).