3-[(2Z)-2-(carbamoylhydrazinylidene)cycloheptyl]propanoic acid

C11H19N3O3 — CID 121221451

IUPAC3-[(2Z)-2-(carbamoylhydrazinylidene)cycloheptyl]propanoic acid
SMILESNC(=O)N/N=C1/CCCCCC1CCC(=O)O
InChIInChI=1S/C11H19N3O3/c12-11(17)14-13-9-5-3-1-2-4-8(9)6-7-10(15)16/h8H,1-7H2,(H,15,16)(H3,12,14,17)/b13-9-
InChIKeyTZMMQSHPCQWWIH-LCYFTJDESA-N
MW241.29 g/mol
LogP1.46
Rot. Bonds4

About 3-[(2Z)-2-(carbamoylhydrazinylidene)cycloheptyl]propanoic acid

3-[(2Z)-2-(carbamoylhydrazinylidene)cycloheptyl]propanoic acid (PubChem CID 121221451) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is 3-[(2Z)-2-(carbamoylhydrazinylidene)cycloheptyl]propanoic acid.

Molecular Properties

Compound Name3-[(2Z)-2-(carbamoylhydrazinylidene)cycloheptyl]propanoic acid
PubChem CID121221451
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name3-[(2Z)-2-(carbamoylhydrazinylidene)cycloheptyl]propanoic acid
SMILESNC(=O)N/N=C1/CCCCCC1CCC(=O)O
InChIInChI=1S/C11H19N3O3/c12-11(17)14-13-9-5-3-1-2-4-8(9)6-7-10(15)16/h8H,1-7H2,(H,15,16)(H3,12,14,17)/b13-9-
InChIKeyTZMMQSHPCQWWIH-LCYFTJDESA-N
XLogP1.46
TPSA104.78 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(2Z)-2-(carbamoylhydrazinylidene)cycloheptyl]propanoic acid?
The IUPAC name of 3-[(2Z)-2-(carbamoylhydrazinylidene)cycloheptyl]propanoic acid (CID 121221451) is 3-[(2Z)-2-(carbamoylhydrazinylidene)cycloheptyl]propanoic acid.
What is the SMILES notation for 3-[(2Z)-2-(carbamoylhydrazinylidene)cycloheptyl]propanoic acid?
The canonical SMILES for 3-[(2Z)-2-(carbamoylhydrazinylidene)cycloheptyl]propanoic acid is NC(=O)N/N=C1/CCCCCC1CCC(=O)O.
What is the InChIKey of 3-[(2Z)-2-(carbamoylhydrazinylidene)cycloheptyl]propanoic acid?
The InChIKey is TZMMQSHPCQWWIH-LCYFTJDESA-N. The full InChI is InChI=1S/C11H19N3O3/c12-11(17)14-13-9-5-3-1-2-4-8(9)6-7-10(15)16/h8H,1-7H2,(H,15,16)(H3,12,14,17)/b13-9-.
What are the key properties of 3-[(2Z)-2-(carbamoylhydrazinylidene)cycloheptyl]propanoic acid?
3-[(2Z)-2-(carbamoylhydrazinylidene)cycloheptyl]propanoic acid has a molecular weight of 241.29 g/mol, XLogP of 1.46, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2Z)-2-(carbamoylhydrazinylidene)cycloheptyl]propanoic acid is sourced from PubChem (CID 121221451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).