4-hydroxy-2-methylidenebutanoic acid;nitric acid

C5H9NO6 — CID 175526871

IUPAC4-hydroxy-2-methylidenebutanoic acid;nitric acid
SMILESC=C(CCO)C(=O)O.O=[N+]([O-])O
InChIInChI=1S/C5H8O3.HNO3/c1-4(2-3-6)5(7)8;2-1(3)4/h6H,1-3H2,(H,7,8);(H,2,3,4)
InChIKeyNSOWKUHEJSCTEC-UHFFFAOYSA-N
MW179.13 g/mol
LogP-0.34
Rot. Bonds3

About 4-hydroxy-2-methylidenebutanoic acid;nitric acid

4-hydroxy-2-methylidenebutanoic acid;nitric acid (PubChem CID 175526871) has the molecular formula C5H9NO6 and a molecular weight of 179.13 g/mol. Its IUPAC name is 4-hydroxy-2-methylidenebutanoic acid;nitric acid.

Molecular Properties

Compound Name4-hydroxy-2-methylidenebutanoic acid;nitric acid
PubChem CID175526871
Molecular FormulaC5H9NO6
Molecular Weight179.13 g/mol
Exact Mass179.04
IUPAC Name4-hydroxy-2-methylidenebutanoic acid;nitric acid
SMILESC=C(CCO)C(=O)O.O=[N+]([O-])O
InChIInChI=1S/C5H8O3.HNO3/c1-4(2-3-6)5(7)8;2-1(3)4/h6H,1-3H2,(H,7,8);(H,2,3,4)
InChIKeyNSOWKUHEJSCTEC-UHFFFAOYSA-N
XLogP-0.34
TPSA120.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.13
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(4-hydroxy-2-methylidenebutanoyl)oxy-2-methylidenebutanoic acid
CID 57167665
2-methoxyprop-2-enoic acid;nitric acid
CID 174788096
5-hydroxy-2-methylidenehex-5-enoic acid
CID 87089770
sodium 4-hydroxy-2-methylidenebutanoate
CID 23685103
hydrogen peroxide;nitric acid
CID 22590704
2,11-dimethylidenedodecanedioic acid
CID 20542368
2-methylidenepentanedioic acid
CID 88647821
2-(hydroxymethyl)-2-methylpropane-1,3-diol;tris(2-methylprop-2-enoic acid);nitric acid
CID 172787675
4-hydroxy-2-oxobutanoic acid
CID 168875529
dilithium;hydride;nitric acid;oxalic acid
CID 173422788
carbonic acid;methane;nitric acid
CID 172861779
silver;ethane-1,2-diol;nitrate
CID 87126324

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-methylidenebutanoic acid;nitric acid?
The IUPAC name of 4-hydroxy-2-methylidenebutanoic acid;nitric acid (CID 175526871) is 4-hydroxy-2-methylidenebutanoic acid;nitric acid.
What is the SMILES notation for 4-hydroxy-2-methylidenebutanoic acid;nitric acid?
The canonical SMILES for 4-hydroxy-2-methylidenebutanoic acid;nitric acid is C=C(CCO)C(=O)O.O=[N+]([O-])O.
What is the InChIKey of 4-hydroxy-2-methylidenebutanoic acid;nitric acid?
The InChIKey is NSOWKUHEJSCTEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O3.HNO3/c1-4(2-3-6)5(7)8;2-1(3)4/h6H,1-3H2,(H,7,8);(H,2,3,4).
What are the key properties of 4-hydroxy-2-methylidenebutanoic acid;nitric acid?
4-hydroxy-2-methylidenebutanoic acid;nitric acid has a molecular weight of 179.13 g/mol, XLogP of -0.34, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-methylidenebutanoic acid;nitric acid is sourced from PubChem (CID 175526871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).