2-(1-ethyl-2-hydroxyiminocyclopentyl)propanoic acid

C10H17NO3 — CID 173220863

IUPAC2-(1-ethyl-2-hydroxyiminocyclopentyl)propanoic acid
SMILESCCC1(C(C)C(=O)O)CCCC1=NO
InChIInChI=1S/C10H17NO3/c1-3-10(7(2)9(12)13)6-4-5-8(10)11-14/h7,14H,3-6H2,1-2H3,(H,12,13)
InChIKeyVOBCMKJIXAVDBV-UHFFFAOYSA-N
MW199.25 g/mol
LogP2.12
Rot. Bonds3

About 2-(1-ethyl-2-hydroxyiminocyclopentyl)propanoic acid

2-(1-ethyl-2-hydroxyiminocyclopentyl)propanoic acid (PubChem CID 173220863) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 2-(1-ethyl-2-hydroxyiminocyclopentyl)propanoic acid.

Molecular Properties

Compound Name2-(1-ethyl-2-hydroxyiminocyclopentyl)propanoic acid
PubChem CID173220863
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name2-(1-ethyl-2-hydroxyiminocyclopentyl)propanoic acid
SMILESCCC1(C(C)C(=O)O)CCCC1=NO
InChIInChI=1S/C10H17NO3/c1-3-10(7(2)9(12)13)6-4-5-8(10)11-14/h7,14H,3-6H2,1-2H3,(H,12,13)
InChIKeyVOBCMKJIXAVDBV-UHFFFAOYSA-N
XLogP2.12
TPSA69.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 52.12
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'}

Analyze 2-(1-ethyl-2-hydroxyiminocyclopentyl)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyl-2-hydroxyiminocyclopentyl)propanoic acid?
The IUPAC name of 2-(1-ethyl-2-hydroxyiminocyclopentyl)propanoic acid (CID 173220863) is 2-(1-ethyl-2-hydroxyiminocyclopentyl)propanoic acid.
What is the SMILES notation for 2-(1-ethyl-2-hydroxyiminocyclopentyl)propanoic acid?
The canonical SMILES for 2-(1-ethyl-2-hydroxyiminocyclopentyl)propanoic acid is CCC1(C(C)C(=O)O)CCCC1=NO.
What is the InChIKey of 2-(1-ethyl-2-hydroxyiminocyclopentyl)propanoic acid?
The InChIKey is VOBCMKJIXAVDBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-3-10(7(2)9(12)13)6-4-5-8(10)11-14/h7,14H,3-6H2,1-2H3,(H,12,13).
What are the key properties of 2-(1-ethyl-2-hydroxyiminocyclopentyl)propanoic acid?
2-(1-ethyl-2-hydroxyiminocyclopentyl)propanoic acid has a molecular weight of 199.25 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethyl-2-hydroxyiminocyclopentyl)propanoic acid is sourced from PubChem (CID 173220863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).