2-[(2E)-2-hydroxyiminocyclopentyl]acetic acid

C7H11NO3 — CID 14215734

IUPAC2-[(2E)-2-hydroxyiminocyclopentyl]acetic acid
SMILESO=C(O)CC1CCC/C1=N\O
InChIInChI=1S/C7H11NO3/c9-7(10)4-5-2-1-3-6(5)8-11/h5,11H,1-4H2,(H,9,10)/b8-6+
InChIKeyCGBRRVYSZSXMIA-SOFGYWHQSA-N
MW157.17 g/mol
LogP1.09
Rot. Bonds2

About 2-[(2E)-2-hydroxyiminocyclopentyl]acetic acid

2-[(2E)-2-hydroxyiminocyclopentyl]acetic acid (PubChem CID 14215734) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is 2-[(2E)-2-hydroxyiminocyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[(2E)-2-hydroxyiminocyclopentyl]acetic acid
PubChem CID14215734
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name2-[(2E)-2-hydroxyiminocyclopentyl]acetic acid
SMILESO=C(O)CC1CCC/C1=N\O
InChIInChI=1S/C7H11NO3/c9-7(10)4-5-2-1-3-6(5)8-11/h5,11H,1-4H2,(H,9,10)/b8-6+
InChIKeyCGBRRVYSZSXMIA-SOFGYWHQSA-N
XLogP1.09
TPSA69.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 51.09
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

3-Cyclobutyl-4,5-dihydro-1,2-oxazol-5-one
CID 83845394
Cyclohexanecarboxylic acid, 3,4-bis(hydroxyimino)-
CID 137229449
4,5,6,7-tetrahydro-3aH-2,1-benzoxazol-3-one
CID 12665307
2-Iminocyclohexane-1-carboxylic acid
CID 57150153
2-Iminocyclopentane-1-carboxylic acid
CID 57162899
cyclopentanone O-cyclohexylcarbonyloxime
CID 129750187
4-Carboxycyclohexylidene imine
CID 129846521
Ethyl [2-(hydroxyimino)cyclopentyl]acetate
CID 6393794
Cyclopentanecarboxylicacid, 3-(hydroxyimino)-
CID 239216
(9E)-9-hydroxyimino-11-methyldodecanoic acid
CID 9964800
2-(4-Hydroxyiminocyclohexyl)acetic acid
CID 11240737
4-(Hydroxyimino)cyclohexane-1-carboxylic acid
CID 21569312

Frequently Asked Questions

What is the IUPAC name of 2-[(2E)-2-hydroxyiminocyclopentyl]acetic acid?
The IUPAC name of 2-[(2E)-2-hydroxyiminocyclopentyl]acetic acid (CID 14215734) is 2-[(2E)-2-hydroxyiminocyclopentyl]acetic acid.
What is the SMILES notation for 2-[(2E)-2-hydroxyiminocyclopentyl]acetic acid?
The canonical SMILES for 2-[(2E)-2-hydroxyiminocyclopentyl]acetic acid is O=C(O)CC1CCC/C1=N\O.
What is the InChIKey of 2-[(2E)-2-hydroxyiminocyclopentyl]acetic acid?
The InChIKey is CGBRRVYSZSXMIA-SOFGYWHQSA-N. The full InChI is InChI=1S/C7H11NO3/c9-7(10)4-5-2-1-3-6(5)8-11/h5,11H,1-4H2,(H,9,10)/b8-6+.
What are the key properties of 2-[(2E)-2-hydroxyiminocyclopentyl]acetic acid?
2-[(2E)-2-hydroxyiminocyclopentyl]acetic acid has a molecular weight of 157.17 g/mol, XLogP of 1.09, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E)-2-hydroxyiminocyclopentyl]acetic acid is sourced from PubChem (CID 14215734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).