2-[(2Z)-2-hydroxyiminocyclopropyl]propanoic acid

C6H9NO3 — CID 20537136

IUPAC2-[(2Z)-2-hydroxyiminocyclopropyl]propanoic acid
SMILESCC(C(=O)O)C1C/C1=N/O
InChIInChI=1S/C6H9NO3/c1-3(6(8)9)4-2-5(4)7-10/h3-4,10H,2H2,1H3,(H,8,9)/b7-5-
InChIKeyYDEDKNULBBHJPK-ALCCZGGFSA-N
MW143.14 g/mol
LogP0.56
Rot. Bonds2

About 2-[(2Z)-2-hydroxyiminocyclopropyl]propanoic acid

2-[(2Z)-2-hydroxyiminocyclopropyl]propanoic acid (PubChem CID 20537136) has the molecular formula C6H9NO3 and a molecular weight of 143.14 g/mol. Its IUPAC name is 2-[(2Z)-2-hydroxyiminocyclopropyl]propanoic acid.

Molecular Properties

Compound Name2-[(2Z)-2-hydroxyiminocyclopropyl]propanoic acid
PubChem CID20537136
Molecular FormulaC6H9NO3
Molecular Weight143.14 g/mol
Exact Mass143.06
IUPAC Name2-[(2Z)-2-hydroxyiminocyclopropyl]propanoic acid
SMILESCC(C(=O)O)C1C/C1=N/O
InChIInChI=1S/C6H9NO3/c1-3(6(8)9)4-2-5(4)7-10/h3-4,10H,2H2,1H3,(H,8,9)/b7-5-
InChIKeyYDEDKNULBBHJPK-ALCCZGGFSA-N
XLogP0.56
TPSA69.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.14
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2E)-2-(hydroxyimino)isocaproic acid
CID 22846589
(2Z)-2-hydroxyimino-4-methylpentanoic acid
CID 13521177
(2Z)-2-methoxyimino-4-methylpentanoic acid
CID 13908934
(2Z)-2-cyclopropyl-2-hydroxyiminoacetic acid
CID 27282033
(1R)-3-methoxyimino-2,2-dimethylcyclopropane-1-carboxylic acid
CID 54062585
3-Imino-2-methylpentanoic acid
CID 57075801
3-Imino-4-methylpentanoic acid
CID 57286411
2-(Hydroxyimino)-4-methylpentanoic acid
CID 57358680
CID 59736103
CID 59736103
2-(Hydroxyimino)-3-methylpentanoic acid
CID 71367181
2-Cyclopropyl-2-(hydroxyimino)acetic acid
CID 73069091
(1R,3Z)-3-methoxyimino-2,2-dimethylcyclopropane-1-carboxylic acid
CID 88090862

Frequently Asked Questions

What is the IUPAC name of 2-[(2Z)-2-hydroxyiminocyclopropyl]propanoic acid?
The IUPAC name of 2-[(2Z)-2-hydroxyiminocyclopropyl]propanoic acid (CID 20537136) is 2-[(2Z)-2-hydroxyiminocyclopropyl]propanoic acid.
What is the SMILES notation for 2-[(2Z)-2-hydroxyiminocyclopropyl]propanoic acid?
The canonical SMILES for 2-[(2Z)-2-hydroxyiminocyclopropyl]propanoic acid is CC(C(=O)O)C1C/C1=N/O.
What is the InChIKey of 2-[(2Z)-2-hydroxyiminocyclopropyl]propanoic acid?
The InChIKey is YDEDKNULBBHJPK-ALCCZGGFSA-N. The full InChI is InChI=1S/C6H9NO3/c1-3(6(8)9)4-2-5(4)7-10/h3-4,10H,2H2,1H3,(H,8,9)/b7-5-.
What are the key properties of 2-[(2Z)-2-hydroxyiminocyclopropyl]propanoic acid?
2-[(2Z)-2-hydroxyiminocyclopropyl]propanoic acid has a molecular weight of 143.14 g/mol, XLogP of 0.56, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2Z)-2-hydroxyiminocyclopropyl]propanoic acid is sourced from PubChem (CID 20537136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).