5-nitroso-3-oxopentanoic acid

C5H7NO4 — CID 57141652

IUPAC5-nitroso-3-oxopentanoic acid
SMILESO=NCCC(=O)CC(=O)O
InChIInChI=1S/C5H7NO4/c7-4(1-2-6-10)3-5(8)9/h1-3H2,(H,8,9)
InChIKeyVYRJIEFEVZQQKF-UHFFFAOYSA-N
MW145.11 g/mol
LogP0.19
Rot. Bonds5

About 5-nitroso-3-oxopentanoic acid

5-nitroso-3-oxopentanoic acid (PubChem CID 57141652) has the molecular formula C5H7NO4 and a molecular weight of 145.11 g/mol. Its IUPAC name is 5-nitroso-3-oxopentanoic acid.

Molecular Properties

Compound Name5-nitroso-3-oxopentanoic acid
PubChem CID57141652
Molecular FormulaC5H7NO4
Molecular Weight145.11 g/mol
Exact Mass145.04
IUPAC Name5-nitroso-3-oxopentanoic acid
SMILESO=NCCC(=O)CC(=O)O
InChIInChI=1S/C5H7NO4/c7-4(1-2-6-10)3-5(8)9/h1-3H2,(H,8,9)
InChIKeyVYRJIEFEVZQQKF-UHFFFAOYSA-N
XLogP0.19
TPSA83.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.11
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-oxohexanedioic acid;sulfane
CID 174916165
3,16-dioxooctadecanedioic acid
CID 22644280
bis(3-oxohexanoic acid);silane
CID 175228530
hydrazine;3-oxopentanedioic acid
CID 175290399
7-chloro-3-oxoheptanoic acid
CID 22488478
6-(dimethylamino)-3-oxohexanoic acid
CID 174931957
6-chloro-6,6-difluoro-3-oxohexanoic acid
CID 174878030
6-methoxy-3-oxohexanoic acid
CID 57018252
6-chloro-6-methoxyimino-3-oxohexanoic acid
CID 174259125
propanedioic acid;tungsten
CID 22081019
CID 87073401
CID 87073401
propanedioic acid;terbium
CID 87785742

Frequently Asked Questions

What is the IUPAC name of 5-nitroso-3-oxopentanoic acid?
The IUPAC name of 5-nitroso-3-oxopentanoic acid (CID 57141652) is 5-nitroso-3-oxopentanoic acid.
What is the SMILES notation for 5-nitroso-3-oxopentanoic acid?
The canonical SMILES for 5-nitroso-3-oxopentanoic acid is O=NCCC(=O)CC(=O)O.
What is the InChIKey of 5-nitroso-3-oxopentanoic acid?
The InChIKey is VYRJIEFEVZQQKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO4/c7-4(1-2-6-10)3-5(8)9/h1-3H2,(H,8,9).
What are the key properties of 5-nitroso-3-oxopentanoic acid?
5-nitroso-3-oxopentanoic acid has a molecular weight of 145.11 g/mol, XLogP of 0.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitroso-3-oxopentanoic acid is sourced from PubChem (CID 57141652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).