4-hydroxy-6-nitroso-6-oxohexanoic acid

C6H9NO5 — CID 89031584

IUPAC4-hydroxy-6-nitroso-6-oxohexanoic acid
SMILESO=NC(=O)CC(O)CCC(=O)O
InChIInChI=1S/C6H9NO5/c8-4(1-2-6(10)11)3-5(9)7-12/h4,8H,1-3H2,(H,10,11)
InChIKeyDADZQMJJYZRABZ-UHFFFAOYSA-N
MW175.14 g/mol
LogP-0.10
Rot. Bonds5

About 4-hydroxy-6-nitroso-6-oxohexanoic acid

4-hydroxy-6-nitroso-6-oxohexanoic acid (PubChem CID 89031584) has the molecular formula C6H9NO5 and a molecular weight of 175.14 g/mol. Its IUPAC name is 4-hydroxy-6-nitroso-6-oxohexanoic acid.

Molecular Properties

Compound Name4-hydroxy-6-nitroso-6-oxohexanoic acid
PubChem CID89031584
Molecular FormulaC6H9NO5
Molecular Weight175.14 g/mol
Exact Mass175.05
IUPAC Name4-hydroxy-6-nitroso-6-oxohexanoic acid
SMILESO=NC(=O)CC(O)CCC(=O)O
InChIInChI=1S/C6H9NO5/c8-4(1-2-6(10)11)3-5(9)7-12/h4,8H,1-3H2,(H,10,11)
InChIKeyDADZQMJJYZRABZ-UHFFFAOYSA-N
XLogP-0.10
TPSA104.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.14
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4,7,10-trihydroxytridecanedioic acid
CID 174508120
4-hydroxy-5-sulfanylpentanoic acid
CID 22119508
(4S)-4-hydroxyhexanoic acid
CID 14057564
(3S)-3-hydroxyheptanedioic acid
CID 87737490
(4R,7R)-4,7-dihydroxyoctanoic acid
CID 90401423
3-hydroxyoctanedioic acid
CID 22328017
4-hydroxyoctanoic acid
CID 159216758
3-hydroxyheptadecanedioic acid
CID 23052244
4-hydroxyhept-6-ynoic acid
CID 55299360
3-hydroxydodecanedioic acid
CID 16663321
4,6-dihydroxyoctanoic acid
CID 137380619
4,12-dihydroxydodecanoic acid
CID 90020174

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-6-nitroso-6-oxohexanoic acid?
The IUPAC name of 4-hydroxy-6-nitroso-6-oxohexanoic acid (CID 89031584) is 4-hydroxy-6-nitroso-6-oxohexanoic acid.
What is the SMILES notation for 4-hydroxy-6-nitroso-6-oxohexanoic acid?
The canonical SMILES for 4-hydroxy-6-nitroso-6-oxohexanoic acid is O=NC(=O)CC(O)CCC(=O)O.
What is the InChIKey of 4-hydroxy-6-nitroso-6-oxohexanoic acid?
The InChIKey is DADZQMJJYZRABZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO5/c8-4(1-2-6(10)11)3-5(9)7-12/h4,8H,1-3H2,(H,10,11).
What are the key properties of 4-hydroxy-6-nitroso-6-oxohexanoic acid?
4-hydroxy-6-nitroso-6-oxohexanoic acid has a molecular weight of 175.14 g/mol, XLogP of -0.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-6-nitroso-6-oxohexanoic acid is sourced from PubChem (CID 89031584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).