2-cyclohex-3-en-1-yl-2-[3-(1H-pyrazol-5-yl)propanoylamino]acetic acid

C14H19N3O3 — CID 166290139

IUPAC2-cyclohex-3-en-1-yl-2-[3-(1H-pyrazol-5-yl)propanoylamino]acetic acid
SMILESO=C(CCc1ccn[nH]1)NC(C(=O)O)C1CC=CCC1
InChIInChI=1S/C14H19N3O3/c18-12(7-6-11-8-9-15-17-11)16-13(14(19)20)10-4-2-1-3-5-10/h1-2,8-10,13H,3-7H2,(H,15,17)(H,16,18)(H,19,20)
InChIKeySKNASIJECXDRFI-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.27
Rot. Bonds6

About 2-cyclohex-3-en-1-yl-2-[3-(1H-pyrazol-5-yl)propanoylamino]acetic acid

2-cyclohex-3-en-1-yl-2-[3-(1H-pyrazol-5-yl)propanoylamino]acetic acid (PubChem CID 166290139) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-cyclohex-3-en-1-yl-2-[3-(1H-pyrazol-5-yl)propanoylamino]acetic acid.

Molecular Properties

Compound Name2-cyclohex-3-en-1-yl-2-[3-(1H-pyrazol-5-yl)propanoylamino]acetic acid
PubChem CID166290139
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name2-cyclohex-3-en-1-yl-2-[3-(1H-pyrazol-5-yl)propanoylamino]acetic acid
SMILESO=C(CCc1ccn[nH]1)NC(C(=O)O)C1CC=CCC1
InChIInChI=1S/C14H19N3O3/c18-12(7-6-11-8-9-15-17-11)16-13(14(19)20)10-4-2-1-3-5-10/h1-2,8-10,13H,3-7H2,(H,15,17)(H,16,18)(H,19,20)
InChIKeySKNASIJECXDRFI-UHFFFAOYSA-N
XLogP1.27
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-cyclohex-3-en-1-yl-2-[3-(1H-pyrazol-5-yl)propanoylamino]acetic 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-cyclohex-3-en-1-yl-2-[3-(1H-pyrazol-5-yl)propanoylamino]acetic acid?
The IUPAC name of 2-cyclohex-3-en-1-yl-2-[3-(1H-pyrazol-5-yl)propanoylamino]acetic acid (CID 166290139) is 2-cyclohex-3-en-1-yl-2-[3-(1H-pyrazol-5-yl)propanoylamino]acetic acid.
What is the SMILES notation for 2-cyclohex-3-en-1-yl-2-[3-(1H-pyrazol-5-yl)propanoylamino]acetic acid?
The canonical SMILES for 2-cyclohex-3-en-1-yl-2-[3-(1H-pyrazol-5-yl)propanoylamino]acetic acid is O=C(CCc1ccn[nH]1)NC(C(=O)O)C1CC=CCC1.
What is the InChIKey of 2-cyclohex-3-en-1-yl-2-[3-(1H-pyrazol-5-yl)propanoylamino]acetic acid?
The InChIKey is SKNASIJECXDRFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c18-12(7-6-11-8-9-15-17-11)16-13(14(19)20)10-4-2-1-3-5-10/h1-2,8-10,13H,3-7H2,(H,15,17)(H,16,18)(H,19,20).
What are the key properties of 2-cyclohex-3-en-1-yl-2-[3-(1H-pyrazol-5-yl)propanoylamino]acetic acid?
2-cyclohex-3-en-1-yl-2-[3-(1H-pyrazol-5-yl)propanoylamino]acetic acid has a molecular weight of 277.32 g/mol, XLogP of 1.27, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohex-3-en-1-yl-2-[3-(1H-pyrazol-5-yl)propanoylamino]acetic acid is sourced from PubChem (CID 166290139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).