3-amino-2-(1-methylcyclopentyl)oxyimino-3-oxopropanoic acid

C9H14N2O4 — CID 173391930

IUPAC3-amino-2-(1-methylcyclopentyl)oxyimino-3-oxopropanoic acid
SMILESCC1(ON=C(C(N)=O)C(=O)O)CCCC1
InChIInChI=1S/C9H14N2O4/c1-9(4-2-3-5-9)15-11-6(7(10)12)8(13)14/h2-5H2,1H3,(H2,10,12)(H,13,14)
InChIKeyPVROYMDEEJVQID-UHFFFAOYSA-N
MW214.22 g/mol
LogP0.26
Rot. Bonds4

About 3-amino-2-(1-methylcyclopentyl)oxyimino-3-oxopropanoic acid

3-amino-2-(1-methylcyclopentyl)oxyimino-3-oxopropanoic acid (PubChem CID 173391930) has the molecular formula C9H14N2O4 and a molecular weight of 214.22 g/mol. Its IUPAC name is 3-amino-2-(1-methylcyclopentyl)oxyimino-3-oxopropanoic acid.

Molecular Properties

Compound Name3-amino-2-(1-methylcyclopentyl)oxyimino-3-oxopropanoic acid
PubChem CID173391930
Molecular FormulaC9H14N2O4
Molecular Weight214.22 g/mol
Exact Mass214.10
IUPAC Name3-amino-2-(1-methylcyclopentyl)oxyimino-3-oxopropanoic acid
SMILESCC1(ON=C(C(N)=O)C(=O)O)CCCC1
InChIInChI=1S/C9H14N2O4/c1-9(4-2-3-5-9)15-11-6(7(10)12)8(13)14/h2-5H2,1H3,(H2,10,12)(H,13,14)
InChIKeyPVROYMDEEJVQID-UHFFFAOYSA-N
XLogP0.26
TPSA101.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-amino-2-(1-methylcyclopentyl)oxyimino-3-oxopropanoic 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 3-amino-2-(1-methylcyclopentyl)oxyimino-3-oxopropanoic acid?
The IUPAC name of 3-amino-2-(1-methylcyclopentyl)oxyimino-3-oxopropanoic acid (CID 173391930) is 3-amino-2-(1-methylcyclopentyl)oxyimino-3-oxopropanoic acid.
What is the SMILES notation for 3-amino-2-(1-methylcyclopentyl)oxyimino-3-oxopropanoic acid?
The canonical SMILES for 3-amino-2-(1-methylcyclopentyl)oxyimino-3-oxopropanoic acid is CC1(ON=C(C(N)=O)C(=O)O)CCCC1.
What is the InChIKey of 3-amino-2-(1-methylcyclopentyl)oxyimino-3-oxopropanoic acid?
The InChIKey is PVROYMDEEJVQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O4/c1-9(4-2-3-5-9)15-11-6(7(10)12)8(13)14/h2-5H2,1H3,(H2,10,12)(H,13,14).
What are the key properties of 3-amino-2-(1-methylcyclopentyl)oxyimino-3-oxopropanoic acid?
3-amino-2-(1-methylcyclopentyl)oxyimino-3-oxopropanoic acid has a molecular weight of 214.22 g/mol, XLogP of 0.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(1-methylcyclopentyl)oxyimino-3-oxopropanoic acid is sourced from PubChem (CID 173391930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).